Glycoside
GD146862
Name:
3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C29H42O11Smiles:
CC12CCC3C(CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD02010
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
