Glycoside
GD151745
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-oneFormula:
C36H60O9Smiles:
COC1OC(OCC(C)=CCCC(C)(O)C2CCC3(C)C2CCC2C4(C)CCC(=O)C(C)(C)C4C(O)CC23C)C(O)C(O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)COSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60484
Formula: C30H50O4
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
