Glycoside
GD142338
Name:
5-amino-2-{[7-amino-6-({4-amino-2,3-dihydroxy-6-[(2-hydroxyethyl)amino]cyclohexyl}oxy)-4-hydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4-diolFormula:
C23H45O12N5Smiles:
CNC1C(OC2OC(CO)C(N)C(O)C2O)OC2CC(N)C(OC3C(NCCO)CC(N)C(O)C3O)OC2C1OAglycone:
CNC1C(O)OC2CC(N)C(OC3C(NCCO)CC(N)C(O)C3O)OC2C1OSugarmoiety:
NC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -7.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 583.64 | Num_heavy_atoms: | 40 |
| TPSA: | 289.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD57284
Formula: C17H34O8N4
Smiles:
CNC1C(O)OC2CC(N)C(OC3C(NCCO)CC(N)C(O)C3O)OC2C1O| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -5.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.48 | Num_heavy_atoms: | 29 |
| TPSA: | 204.94 | NumAromaticRings: | 0 |
