Glycoside
GD116230
Name:
2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)-4-(methylamino)oxane-3,5-diolFormula:
C19H39O8N5Smiles:
CNC1C(O)C(CO)OC(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)C1OAglycone:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 465.55 | Num_heavy_atoms: | 32 |
| TPSA: | 233.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD01521
Formula: C12H26O4N4
Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
