Glycoside
GD131366
Name:
4-{3a,5a,9a-trihydroxy-7-[(4-hydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H44O9Smiles:
COC1C(O)CC(C)OC1OC1CCC2(O)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2(O)C1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 536.66 | Num_heavy_atoms: | 38 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53225
Formula: C22H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 392.49 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
