Glycoside
...
GD021392

Name:
None

Formula:
C23H34O9N2

Smiles:
C[C@H](Cc1ccccc1)N(C)CC1OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C1O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CC(Cc1ccccc1)N(C)C

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.61
AlogP: -0.78 Num_rotatable_bonds: 12
MolWt: 482.53 Num_heavy_atoms: 34
TPSA: 176.86 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
AD14637
Formula: C11H17N

Smiles:
CC(Cc1ccccc1)N(C)C
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.45
AlogP: 2.18 Num_rotatable_bonds: 3
MolWt: 163.26 Num_heavy_atoms: 12
TPSA: 3.24 NumAromaticRings: 1

Sugarmoiety
SD00017

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