Glycoside
...
GD015938

Name:
None

Formula:
C25H37O9N3

Smiles:
Cc1cccc(N2CCN(CC3OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C3O)CC2)c1C

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.Cc1cccc(N2CCN(C)CC2)c1C

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.64
AlogP: -0.9 Num_rotatable_bonds: 10
MolWt: 523.58 Num_heavy_atoms: 37
TPSA: 180.1 NumAromaticRings: 1

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD11529
Formula: C13H20N2

Smiles:
Cc1cccc(N2CCN(C)CC2)c1C
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.54
AlogP: 2.06 Num_rotatable_bonds: 1
MolWt: 204.32 Num_heavy_atoms: 15
TPSA: 6.48 NumAromaticRings: 1

Sugarmoiety
SD00017

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