Glycoside
GD147674
Name:
2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)-4-(methylamino)oxane-3,5-diolFormula:
C19H39O9N5Smiles:
CNC1C(O)C(CO)OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)CC3N)C2O)C1OAglycone:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
CNC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 481.55 | Num_heavy_atoms: | 33 |
| TPSA: | 254.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD02993
Formula: C12H26O5N4
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.36 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
