Glycoside
...
GD011330

Name:
None

Formula:
C36H38O7N2

Smiles:
O=C(NC1c2ccccc2C[C@H]1O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1ccccc1

Aglycone:
Cc1ccccc1.Cc1ccccc1.NC1c2ccccc2CC1O.NCc1ccccc1

Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.28
AlogP: 2.97 Num_rotatable_bonds: 14
MolWt: 610.71 Num_heavy_atoms: 45
TPSA: 137.35 NumAromaticRings: 4

Unique Aglycone
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1
AD00740
Formula: C9H11ON

Smiles:
NC1c2ccccc2CC1O
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 0.6 Num_rotatable_bonds: 0
MolWt: 149.19 Num_heavy_atoms: 11
TPSA: 46.25 NumAromaticRings: 1
AD02149
Formula: C7H9N

Smiles:
NCc1ccccc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.15 Num_rotatable_bonds: 1
MolWt: 107.16 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00176

O=C(O)C(OO)C(O)C(O)C(OO)C(=O)O