Glycoside
...
GD009589

Name:
None

Formula:
C27H53O11N7

Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CN)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(CN)CCC2N)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 17 FractionCSP3: 0.96
AlogP: -5.91 Num_rotatable_bonds: 13
MolWt: 651.76 Num_heavy_atoms: 45
TPSA: 321.52 NumAromaticRings: 0

Unique Aglycone
AD02431
Formula: C16H33O6N5

Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1O
HBA: 11 RingCount: 2
HBD: 12 FractionCSP3: 0.94
AlogP: -4.19 Num_rotatable_bonds: 7
MolWt: 391.47 Num_heavy_atoms: 27
TPSA: 212.33 NumAromaticRings: 0
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

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O