Glycoside
GD151227
Name:
4-amino-N-(3-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,6-dihydroxycyclohexyl)-2-hydroxybutanimidic acidFormula:
C21H41O13N5Smiles:
NCCC(O)C(O)=NC1C(O)C(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1OAglycone:
NCCC(O)C(O)=NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.95 |
| AlogP: | -7.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 571.58 | Num_heavy_atoms: | 39 |
| TPSA: | 335.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD60332
Formula: C10H21O6N3
Smiles:
NCCC(O)C(O)=NC1C(O)C(N)C(O)C(O)C1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.29 | Num_heavy_atoms: | 19 |
| TPSA: | 185.78 | NumAromaticRings: | 0 |
