Glycoside
...
GD155055

Name:
1-[3-({6-[(4-{3-[(5-{[6-({[3-(3,4-dihydroxycyclohexyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-{[7-hydroxy-2-(4-hydroxycyclohexyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-1-benzopyran-1-ium-3-ylidene]oxy}oxan-2-yl)methoxy]-3-oxoprop-1-en-1-yl}-2-hydroxycyclohexylidene)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxoprop-1-en-1-yl]-3,4-dihydroxycyclohexyl

Formula:
C66H70O34

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccc(C=CC(=O)OCC3OC(OC4=Cc5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc5[OH+]C4=C4C=C[C](O)C=C4)C(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)C(O)C3O)cc2O)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 10
HBD: 20 FractionCSP3: 0.36
AlogP: -2.41 Num_rotatable_bonds: 21
MolWt: 1407.25 Num_heavy_atoms: 100
TPSA: 549.91 NumAromaticRings: 4

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD45378
Formula: C15H13O5

Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1
HBA: 5 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 1.99 Num_rotatable_bonds: 0
MolWt: 273.26 Num_heavy_atoms: 20
TPSA: 93.72 NumAromaticRings: 1

Sugarmoiety
SD04728

OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O