Glycoside
...
GD008207

Name:
TARENNINOSIDE A

Formula:
C25H28O15

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3OC=C(C(=O)O)[C@@H]4CC=C(C(=O)O)[C@H]34)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.48
AlogP: -0.64 Num_rotatable_bonds: 9
MolWt: 568.48 Num_heavy_atoms: 40
TPSA: 227.97 NumAromaticRings: 1

Unique Aglycone
AD00094
Formula: C10H12O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD01005
Formula: C10H10O6

Smiles:
O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.4
AlogP: -0.05 Num_rotatable_bonds: 2
MolWt: 226.18 Num_heavy_atoms: 16
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00017

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