Glycoside
GD147337
Name:
5-amino-6-[(2,4-diamino-6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diolFormula:
C17H33O12N3Smiles:
NC1C(OC2C(N)C(O)C(N)C(O)C2OC2OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -7.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.46 | Num_heavy_atoms: | 32 |
| TPSA: | 276.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
