Glycoside
GD133691
Name:
3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acidFormula:
C30H44O10Smiles:
COC1CC(OC2CCC3(C(=O)O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD19489
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
