Glycoside
GD127001
Name:
4-amino-2-[(4,6-diamino-3-{[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diolFormula:
C18H36O10N4Smiles:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1OAglycone:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 262.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD05463
Formula: C12H25O6N3
Smiles:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
