Glycoside
...
GD002782

Name:
WOORENOSIDE III

Formula:
C33H42O14

Smiles:
C=C(CCO)C(=O)OC[C@@H]1O[C@H](OCC=Cc2cc(OC)c3c(c2)[C@H](CO)[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)cc3C2CO)cc(OC)c1OC

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.48
AlogP: 1.25 Num_rotatable_bonds: 15
MolWt: 662.69 Num_heavy_atoms: 47
TPSA: 192.06 NumAromaticRings: 2

Unique Aglycone
AD02613
Formula: C22H26O7

Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1OC
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 2.94 Num_rotatable_bonds: 8
MolWt: 402.44 Num_heavy_atoms: 29
TPSA: 86.61 NumAromaticRings: 2
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

Sugarmoiety
SD00017

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