Glycoside
GD126420
Name:
1-[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pyrrolidin-2-oneFormula:
C19H29O11NSmiles:
COC1=C(N2C(=O)CCC2COC2OC(CO)C(O)C(O)C2O)CC(O)(CO)CC1=OAglycone:
COC1=C(N2C(=O)CCC2CO)CC(O)(CO)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.44 | Num_heavy_atoms: | 31 |
| TPSA: | 186.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51152
Formula: C13H19O6N
Smiles:
COC1=C(N2C(=O)CCC2CO)CC(O)(CO)CC1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.3 | Num_heavy_atoms: | 20 |
| TPSA: | 107.3 | NumAromaticRings: | 0 |
