Glycoside
...
GD016862

Name:
WOORENOSIDE IV

Formula:
C35H44O15

Smiles:
C=C(CCO)C(=O)OC[C@@H]1O[C@H](OCC=Cc2cc(OC)c3c(c2)[C@H](COC(C)=O)[C@H](c2cc(OC)c(OC)c(OC)c2)O3)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
C=C(CCO)C(=O)OC.COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2COC(C)=O)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.49
AlogP: 1.82 Num_rotatable_bonds: 16
MolWt: 704.72 Num_heavy_atoms: 50
TPSA: 198.13 NumAromaticRings: 2

Unique Aglycone
AD02615
Formula: C6H10O3

Smiles:
C=C(CCO)C(=O)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: 0.1 Num_rotatable_bonds: 3
MolWt: 130.14 Num_heavy_atoms: 9
TPSA: 46.53 NumAromaticRings: 0
AD02737
Formula: C24H28O8

Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2COC(C)=O)cc(OC)c1OC
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 3.51 Num_rotatable_bonds: 9
MolWt: 444.48 Num_heavy_atoms: 32
TPSA: 92.68 NumAromaticRings: 2

Sugarmoiety
SD00017

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