Glycoside
GD150008
Name:
4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-4-{[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-2-hydroxycyclohexyl)-2-hydroxybutanimidic acidFormula:
C21H42O9N6Smiles:
NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)CCC2N)(OC2OC(CN)C(O)C2O)CC1OAglycone:
NCCC(O)C(O)=NC1CC(N)C(O)(OC2OC(CN)CCC2N)CC1OSugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 522.6 | Num_heavy_atoms: | 36 |
| TPSA: | 280.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD59950
Formula: C16H33O6N5
Smiles:
NCCC(O)C(O)=NC1CC(N)C(O)(OC2OC(CN)CCC2N)CC1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.47 | Num_heavy_atoms: | 27 |
| TPSA: | 215.82 | NumAromaticRings: | 0 |
