Glycoside
GD143643
Name:
2-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H56O18N6Smiles:
NCC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 22 | FractionCSP3: | 1.0 |
| AlogP: | -11.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 776.79 | Num_heavy_atoms: | 53 |
| TPSA: | 432.26 | 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 |
