Glycoside
...
GD123449

Name:
Monnieraside I

Formula:
C21H24O9

Smiles:
O=C(OC1C(OCCc2ccc(O)cc2)OC(CO)C(O)C1O)c1ccc(O)cc1

Aglycone:
O=C(O)c1ccc(O)cc1.OCCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: 0.32 Num_rotatable_bonds: 7
MolWt: 420.41 Num_heavy_atoms: 30
TPSA: 145.91 NumAromaticRings: 2

Unique Aglycone
AD02360
Formula: C7H6O3

Smiles:
O=C(O)c1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1
AD03863
Formula: C8H10O2

Smiles:
OCCc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00003

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