Glycoside
...
GD031130

Name:
None

Formula:
C39H34O14

Smiles:
C[C@@H]1O[C@H](OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)cc2)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1

Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.21
AlogP: 4.27 Num_rotatable_bonds: 9
MolWt: 726.69 Num_heavy_atoms: 53
TPSA: 218.74 NumAromaticRings: 4

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD04886
Formula: C15H12O6

Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.13
AlogP: 1.48 Num_rotatable_bonds: 1
MolWt: 288.25 Num_heavy_atoms: 21
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O