Glycoside
GD152613
Name:
5-hydroxy-1-{2-hydroxy-6-methyl-7-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]hept-5-en-2-yl}-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetateFormula:
C38H64O10Smiles:
COC1OC(OCC(C)=CCCC(C)(O)C2CCC3(C)C2CCC2C4(C)CCC(OC(C)=O)C(C)(C)C4C(O)CC23C)C(O)C(O)C1OAglycone:
CC(=O)OC1CCC2(C)C(C(O)CC3(C)C2CCC2C(C(C)(O)CCC=C(C)CO)CCC23C)C1(C)CSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.92 | Num_heavy_atoms: | 48 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54269
Formula: C32H54O5
Smiles:
CC(=O)OC1CCC2(C)C(C(O)CC3(C)C2CCC2C(C(C)(O)CCC=C(C)CO)CCC23C)C1(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.78 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
