Glycoside
...
GD104215

Name:
None

Formula:
C28H30O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Cc1ccc(O)cc1)c1ccc(O)cc1O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.39
AlogP: 1.99 Num_rotatable_bonds: 10
MolWt: 574.54 Num_heavy_atoms: 41
TPSA: 181.19 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD43978
Formula: C14H12O4

Smiles:
O=C(Cc1ccc(O)cc1)c1ccc(O)cc1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.23 Num_rotatable_bonds: 3
MolWt: 244.25 Num_heavy_atoms: 18
TPSA: 77.76 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O