Glycoside
...
GD023666

Name:
None

Formula:
C40H34O14

Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)cc2)cc1

Aglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.17
AlogP: 5.03 Num_rotatable_bonds: 10
MolWt: 738.7 Num_heavy_atoms: 54
TPSA: 211.65 NumAromaticRings: 5

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
AD07766
Formula: C16H12O6

Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD00076

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