Glycoside
GD143258
Name:
4-{[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamideFormula:
C19H32O11N2Smiles:
COC1=C(NC(CCC(=N)O)COC2OC(CO)C(O)C(O)C2O)CC(O)(CO)CC1=OAglycone:
COC1=C(NC(CO)CCC(=N)O)CC(O)(CO)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 464.47 | Num_heavy_atoms: | 32 |
| TPSA: | 222.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD57632
Formula: C13H22O6N2
Smiles:
COC1=C(NC(CO)CCC(=N)O)CC(O)(CO)CC1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 302.33 | Num_heavy_atoms: | 21 |
| TPSA: | 143.1 | NumAromaticRings: | 0 |
