Glycoside
...
GD001644

Name:
TARENNINOSIDE E

Formula:
C25H26O12

Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3CC=C(C(=O)O)[C@H]23)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.4
AlogP: 0.04 Num_rotatable_bonds: 8
MolWt: 518.47 Num_heavy_atoms: 37
TPSA: 189.28 NumAromaticRings: 1

Unique Aglycone
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 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