Glycoside
...
GD002278

Name:
SINOLIGNAN A

Formula:
C30H34O14

Smiles:
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC

Aglycone:
COC(C)=O.COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 3 FractionCSP3: 0.53
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 618.59 Num_heavy_atoms: 44
TPSA: 177.9 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02190
Formula: C22H22O8

Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC
HBA: 8 RingCount: 5
HBD: 1 FractionCSP3: 0.41
AlogP: 2.41 Num_rotatable_bonds: 4
MolWt: 414.41 Num_heavy_atoms: 30
TPSA: 92.68 NumAromaticRings: 2

Sugarmoiety
SD00017

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