Glycoside
...
GD002780

Name:
WOORENOSIDE I

Formula:
C28H36O12

Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(C=CCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3[C@H]2CO)cc(OC)c1OC

Aglycone:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc(OC)c1OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.5
AlogP: 0.76 Num_rotatable_bonds: 11
MolWt: 564.58 Num_heavy_atoms: 40
TPSA: 165.76 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

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O