Glycoside
GD149655
Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-2-oxo-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C31H42O11Smiles:
COC1C(O)C(C)OC(OC2CCC3(C=O)C4CCC5(C)C(c6ccc(=O)oc6)C(=O)CC5(O)C4CCC3(O)C2)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(=O)C2c1ccc(=O)oc1Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.67 | Num_heavy_atoms: | 42 |
| TPSA: | 172.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD59827
Formula: C24H30O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(=O)C2c1ccc(=O)oc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 430.5 | Num_heavy_atoms: | 31 |
| TPSA: | 125.04 | NumAromaticRings: | 1 |
