Glycoside
...
GD122719

Name:
Benzoylsalireposide

Formula:
C27H26O10

Smiles:
O=C(OCc1cc(O)ccc1OC1OC(CO)C(O)C(OC(=O)c2ccccc2)C1O)c1ccccc1

Aglycone:
O=C(O)c1ccccc1.O=C(OCc1cc(O)ccc1O)c1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.26
AlogP: 1.79 Num_rotatable_bonds: 8
MolWt: 510.5 Num_heavy_atoms: 37
TPSA: 151.98 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD08042
Formula: C14H12O4

Smiles:
O=C(OCc1cc(O)ccc1O)c1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.45 Num_rotatable_bonds: 3
MolWt: 244.25 Num_heavy_atoms: 18
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00003

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