Glycoside
...
GD123955

Name:
{5-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methyl 3-phenylprop-2-enoate

Formula:
C35H36O15

Smiles:
O=C(C=Cc1ccccc1)OCC1(O)COC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C1O

Aglycone:
COC(=O)C=Cc1ccccc1.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21

Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 7 FractionCSP3: 0.37
AlogP: 0.71 Num_rotatable_bonds: 10
MolWt: 696.66 Num_heavy_atoms: 50
TPSA: 231.13 NumAromaticRings: 3

Unique Aglycone
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1
AD03294
Formula: C15H12O5

Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.13
AlogP: 2.51 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD01555

OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O