Glycoside
...
GD129661

Name:
None

Formula:
C25H27O13

Smiles:
O=C(O)CCC(=O)OCC1OC(OC2=Cc3c(O)cc(O)cc3OC2c2ccc([OH2+])cc2)C(O)C(O)C1O

Aglycone:
COC(=O)CCC(=O)O.OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 8 FractionCSP3: 0.36
AlogP: 0.24 Num_rotatable_bonds: 8
MolWt: 535.48 Num_heavy_atoms: 38
TPSA: 215.34 NumAromaticRings: 2

Unique Aglycone
AD08961
Formula: C5H8O4

Smiles:
COC(=O)CCC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.6
AlogP: 0.02 Num_rotatable_bonds: 3
MolWt: 132.12 Num_heavy_atoms: 9
TPSA: 63.6 NumAromaticRings: 0
AD45029
Formula: C15H13O5

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc([OH2+])cc1
HBA: 5 RingCount: 3
HBD: 5 FractionCSP3: 0.07
AlogP: 2.57 Num_rotatable_bonds: 1
MolWt: 273.26 Num_heavy_atoms: 20
TPSA: 92.82 NumAromaticRings: 2

Sugarmoiety
SD00017

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