Glycoside
GD132463
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}pentanoic acidFormula:
C19H31O12NSmiles:
COC1=C(NC(CCC(=O)O)COC2OC(CO)C(O)C(O)C2O)CC(O)(CO)CC1=OAglycone:
COC1=C(NC(CO)CCC(=O)O)CC(O)(CO)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 465.45 | Num_heavy_atoms: | 32 |
| TPSA: | 215.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD53635
Formula: C13H21O7N
Smiles:
COC1=C(NC(CO)CCC(=O)O)CC(O)(CO)CC1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 303.31 | Num_heavy_atoms: | 21 |
| TPSA: | 136.32 | NumAromaticRings: | 0 |
