Glycoside
GD127598
Name:
2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diolFormula:
C17H33O10N3Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)CC(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)CC(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -5.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.46 | Num_heavy_atoms: | 30 |
| TPSA: | 236.36 | 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 |
