Glycoside
GD130671
Name:
N-{2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-4-yl}acetamideFormula:
C19H36O11N4Smiles:
CC(O)=NC1C(O)COC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(O)C3N)C2O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(O)=NC1C(O)COC(O)C1O.NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.95 |
| AlogP: | -5.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.51 | Num_heavy_atoms: | 34 |
| TPSA: | 268.95 | 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 |
