Glycoside
GD130145
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-9a,11a-dimethyl-1-{6-methyl-5-methylidene-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C39H64O14Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4OC)C=C3C(O)CC12O)C(C)COC1OCC(O)C(O)C1OAglycone:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(O)OCC(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50778
Formula: C28H46O6
Smiles:
C=C(CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
