Glycoside
GD150672
Name:
1-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C35H60O11Smiles:
COC1C(O)C(CO)OC(OCC(C)C(C)C=CC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)C(O)C4C(O)CC23O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.85 | Num_heavy_atoms: | 46 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD04735
Formula: C28H48O6
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
