Glycoside
GD146520
Name:
2-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H47O15N5Smiles:
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(N)C3O)C2O)C(N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OC1OC(CO)C(O)C(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -9.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 645.66 | Num_heavy_atoms: | 44 |
| TPSA: | 367.55 | 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 |
