Glycoside
GD130526
Name:
4-(3a,5a-dihydroxy-7-{[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]methyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C31H48O8Smiles:
COC1CC(OCC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OAglycone:
CC12CCC(CO)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.72 | Num_heavy_atoms: | 39 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46197
Formula: C24H36O5
Smiles:
CC12CCC(CO)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.55 | Num_heavy_atoms: | 29 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
