Glycoside
...
GD012539

Name:
None

Formula:
C22H31O10N3

Smiles:
NC(=O)[C@H](Cc1ccccc1)NCC1OC(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.CNC(Cc1ccccc1)C(N)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 9 FractionCSP3: 0.55
AlogP: -2.65 Num_rotatable_bonds: 13
MolWt: 497.5 Num_heavy_atoms: 35
TPSA: 228.74 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
AD09445
Formula: C10H14ON2

Smiles:
CNC(Cc1ccccc1)C(N)=O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.3
AlogP: 0.3 Num_rotatable_bonds: 4
MolWt: 178.23 Num_heavy_atoms: 13
TPSA: 55.12 NumAromaticRings: 1

Sugarmoiety
SD00017

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