Glycoside
...
GD005034

Name:
None

Formula:
C29H35O11N3

Smiles:
C[C@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C1O)c1ccccc1

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)c1ccccc1C(=O)NC(C)c1ccccc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.41
AlogP: -0.42 Num_rotatable_bonds: 13
MolWt: 601.61 Num_heavy_atoms: 43
TPSA: 231.82 NumAromaticRings: 2

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
AD04313
Formula: C17H18O2N2

Smiles:
CNC(=O)c1ccccc1C(=O)NC(C)c1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 2.54 Num_rotatable_bonds: 4
MolWt: 282.34 Num_heavy_atoms: 21
TPSA: 58.2 NumAromaticRings: 2

Sugarmoiety
SD00017

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