Glycoside
...
GD147098

Name:
5-{[(6-{[6-({6-[(6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-(3,5,7-trihydroxy-4-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]carbonyl}-2,3-dihydroxyphenyl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate

Formula:
C105H102O59

Smiles:
O=C(OCC1OC(OCC2OC(OCC3OC(OCC4OC(Oc5cc(O)c6c(c5)OC(c5ccc(O)c(O)c5)C(O)C6c5c(O)cc6c(c5O)C(c5c(O)cc7c(c5O)C(c5c(O)cc8c(c5O)CC(O)C(c5cc(O)c(O)c(O)c5)O8)C(O)C(c5cc(O)c(O)c(O)c5)O7)C(O)C(c5cc(O)c(O)c(O)c5)O6)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1

Aglycone:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc2c(c1O)C(c1c(O)cc3c(c1O)C(c1c(O)cc4c(c1O)CC(O)C(c1cc(O)c(O)c(O)c1)O4)C(O)C(c1cc(O)c(O)c(O)c1)O3)C(O)C(c1cc(O)c(O)c(O)c1)O2

Sugarmoiety:
OC1OC(COC2OC(COC3OC(COC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 59 RingCount: 19
HBD: 41 FractionCSP3: 0.34
AlogP: -1.8 Num_rotatable_bonds: 25
MolWt: 2307.91 Num_heavy_atoms: 164
TPSA: 1019.09 NumAromaticRings: 11

Unique Aglycone
AD53009
Formula: C22H16O13

Smiles:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.05
AlogP: 1.85 Num_rotatable_bonds: 5
MolWt: 488.36 Num_heavy_atoms: 35
TPSA: 220.51 NumAromaticRings: 3
AD58920
Formula: C60H50O27

Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc2c(c1O)C(c1c(O)cc3c(c1O)C(c1c(O)cc4c(c1O)CC(O)C(c1cc(O)c(O)c(O)c1)O4)C(O)C(c1cc(O)c(O)c(O)c1)O3)C(O)C(c1cc(O)c(O)c(O)c1)O2
HBA: 27 RingCount: 12
HBD: 23 FractionCSP3: 0.2
AlogP: 5.01 Num_rotatable_bonds: 7
MolWt: 1203.03 Num_heavy_atoms: 87
TPSA: 502.21 NumAromaticRings: 8

Sugarmoiety
SD07630

OC1OC(COC2OC(COC3OC(COC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O