Glycoside
GD128375
Name:
5-amino-6-({4-amino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxy-6-(methylamino)cyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diolFormula:
C24H47O14N5Smiles:
CNC1CC(N)C(O)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1OC1OC(CO)C(O)C(O)C1NAglycone:
CNC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -8.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 629.66 | Num_heavy_atoms: | 43 |
| TPSA: | 333.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD51267
Formula: C7H16O3N2
Smiles:
CNC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 98.74 | NumAromaticRings: | 0 |
