Glycoside
GD120983
Name:
5-amino-6-[(4-amino-6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino}-2,3-dihydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diolFormula:
C17H33O11N3Smiles:
NC1CC(NC2OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -7.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.46 | Num_heavy_atoms: | 31 |
| TPSA: | 253.6 | 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 |
