Glycoside
GD147965
Name:
2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,8-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H40O13N4Smiles:
CNC1C(OC2OC(CO)C(O)C(O)C2O)OC2C(O)C(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1OAglycone:
CNC1C(O)OC2C(O)C(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.57 | Num_heavy_atoms: | 38 |
| TPSA: | 298.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD59230
Formula: C15H30O8N4
Smiles:
CNC1C(O)OC2C(O)C(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -5.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.43 | Num_heavy_atoms: | 27 |
| TPSA: | 218.93 | NumAromaticRings: | 0 |
