Glycoside
GD157210
Name:
4-(7-{[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]methyl}-3a,5a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C30H46O8Smiles:
CC1OC(OCC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC(CO)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 125.68 | 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 |
