Glycoside
...
GD149637

Name:
None

Formula:
C34H39O11N3

Smiles:
CC1OC(OCc2ccc([NH+]([O-])O)cc2)C(OCc2ccccc2)C(OCc2ccc([NH+]([O-])O)cc2)C1OCc1ccc([NH+]([O-])O)cc1

Aglycone:
OCc1ccccc1.[O-][NH+](O)c1ccc(CO)cc1.[O-][NH+](O)c1ccc(CO)cc1.[O-][NH+](O)c1ccc(CO)cc1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.29
AlogP: 1.91 Num_rotatable_bonds: 15
MolWt: 665.7 Num_heavy_atoms: 48
TPSA: 189.34 NumAromaticRings: 4

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD47266
Formula: C7H9O3N

Smiles:
[O-][NH+](O)c1ccc(CO)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.14
AlogP: -0.42 Num_rotatable_bonds: 2
MolWt: 155.15 Num_heavy_atoms: 11
TPSA: 67.96 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O