Glycoside
...
GD018116

Name:
None

Formula:
C29H36O12N2

Smiles:
CC(C)(c1ccc(O)cc1)c1ccc(O)c(C(=O)NCC2OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C2O)c1

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.45
AlogP: -0.17 Num_rotatable_bonds: 12
MolWt: 604.61 Num_heavy_atoms: 43
TPSA: 243.18 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
AD12835
Formula: C17H19O3N

Smiles:
CNC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.24
AlogP: 2.78 Num_rotatable_bonds: 3
MolWt: 285.34 Num_heavy_atoms: 21
TPSA: 69.56 NumAromaticRings: 2

Sugarmoiety
SD00017

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