Glycoside
GD154096
Name:
5-(hydroxymethyl)-7',9',13'-trimethyl-16'-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oneFormula:
C38H60O14Smiles:
CC1C2C(CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Aglycone:
CC1C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50930
Formula: C27H42O5
Smiles:
CC1C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
