Glycoside
GD134174
Name:
3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,5aH,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C30H40O11Smiles:
CC12CCC3C(CCC4(OC5OC(CO)C(O)C(O)C5O)C=CCCC34C(=O)O)C1(O)CCC2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)C=CCCC34C(=O)O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 576.64 | Num_heavy_atoms: | 41 |
| TPSA: | 187.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD54281
Formula: C24H30O6
Smiles:
CC12CCC3C(CCC4(O)C=CCCC34C(=O)O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.5 | Num_heavy_atoms: | 30 |
| TPSA: | 107.97 | NumAromaticRings: | 1 |
