Glycoside
...
GD003841

Name:
Buddlenoid B

Formula:
C31H28O14

Smiles:
COc1cc(-c2oc3cc(O[C@@H]4O[C@H](COC(=O)C=Cc5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.23
AlogP: 1.73 Num_rotatable_bonds: 8
MolWt: 624.55 Num_heavy_atoms: 45
TPSA: 225.81 NumAromaticRings: 4

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD01682
Formula: C16H12O7

Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.06
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 316.26 Num_heavy_atoms: 23
TPSA: 120.36 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O