Glycoside
GD116434
Name:
4-{3a,11-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a-methyl-10-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H42O9Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3C(=O)C(O)C3C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2C(=O)C(O)C2C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46231
Formula: C22H30O6
Smiles:
CC12CCC(O)CC1CCC1C2C(=O)C(O)C2C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
