Glycoside
GD144730
Name:
N-(5-amino-4-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-hydroxycyclohexyl)ethanimidic acidFormula:
C25H47O15N5Smiles:
CC(O)=NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1OAglycone:
CC(O)=NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.96 |
| AlogP: | -7.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 657.67 | Num_heavy_atoms: | 45 |
| TPSA: | 353.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD47980
Formula: C8H16O4N2
Smiles:
CC(O)=NC1CC(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.23 | Num_heavy_atoms: | 14 |
| TPSA: | 119.3 | NumAromaticRings: | 0 |
