Glycoside
...
GD012614

Name:
None

Formula:
C29H48O21N3

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@H](C)[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O[C@]2(C(=O)[O-])C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H]1O

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.CC(O)C(N)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 3
HBD: 14 FractionCSP3: 0.86
AlogP: -9.59 Num_rotatable_bonds: 16
MolWt: 774.7 Num_heavy_atoms: 53
TPSA: 399.1 NumAromaticRings: 0

Unique Aglycone
AD00303
Formula: C11H18O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -5.21 Num_rotatable_bonds: 5
MolWt: 308.26 Num_heavy_atoms: 21
TPSA: 179.61 NumAromaticRings: 0
AD02859
Formula: C4H9O3N

Smiles:
CC(O)C(N)C(=O)O
HBA: 4 RingCount: 0
HBD: 4 FractionCSP3: 0.75
AlogP: -1.22 Num_rotatable_bonds: 2
MolWt: 119.12 Num_heavy_atoms: 8
TPSA: 83.55 NumAromaticRings: 0

Sugarmoiety
SD00222

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O