Glycoside
GD120149
Name:
N-[6-(aminomethyl)-2-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-4,5-dihydroxyoxan-3-yl]ethanimidic acidFormula:
C20H39O11N5Smiles:
CC(O)=NC1C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)OC(CN)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(O)=NC1C(O)OC(CN)C(O)C1O.NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -6.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 525.56 | Num_heavy_atoms: | 36 |
| TPSA: | 294.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
