Glycoside
GD152607
Name:
2-({5-amino-6-[(4,6-diamino-3-{[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H46O15N4Smiles:
CNC1C(O)COC(OC2C(N)CC(N)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N)C2O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)COC(O)C1O.NC1C(O)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -8.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.65 | Num_heavy_atoms: | 43 |
| TPSA: | 327.54 | 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 |
