Glycoside
...
GD021952

Name:
None

Formula:
C27H52O12N6

Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CO)CC[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)CC[C@H]3N)[C@H]2O)[C@H]1O

Aglycone:
NCC1CCC(N)C(O)O1.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)CCC2N)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 16 FractionCSP3: 0.96
AlogP: -5.88 Num_rotatable_bonds: 13
MolWt: 652.74 Num_heavy_atoms: 45
TPSA: 315.73 NumAromaticRings: 0

Unique Aglycone
AD07457
Formula: C6H14O2N2

Smiles:
NCC1CCC(N)C(O)O1
HBA: 4 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -1.23 Num_rotatable_bonds: 1
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 81.5 NumAromaticRings: 0
AD14939
Formula: C16H32O7N4

Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)CCC2N)C(O)C1O
HBA: 11 RingCount: 2
HBD: 11 FractionCSP3: 0.94
AlogP: -4.16 Num_rotatable_bonds: 7
MolWt: 392.45 Num_heavy_atoms: 27
TPSA: 206.54 NumAromaticRings: 0

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O