Glycoside
GD158263
Name:
2-[(5-amino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxycyclohexyl)amino]acetic acidFormula:
C19H36O12N4Smiles:
NCC1OC(OC2C(NCC(=O)O)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1OAglycone:
NC1CC(NCC(=O)O)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | -6.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.51 | Num_heavy_atoms: | 35 |
| TPSA: | 285.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD62490
Formula: C8H16O5N2
Smiles:
NC1CC(NCC(=O)O)C(O)C(O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 220.23 | Num_heavy_atoms: | 15 |
| TPSA: | 136.04 | NumAromaticRings: | 0 |
