Glycoside
GD133992
Name:
6-{[7,8-dihydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C41H66O14Smiles:
C=C(CCC(C)C1CCC2C3C(OC4OCC(OC(C)=O)C(O)C4O)C=C4C(OC5OC(CO)C(O)C(O)C5O)C(O)C(O)CC4(C)C3CCC12C)C(C)CAglycone:
C=C(CCC(C)C1CCC2C3C(O)C=C4C(O)C(O)C(O)CC4(C)C3CCC12C)C(C)CSugarmoiety:
CC(=O)OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD54208
Formula: C28H46O4
Smiles:
C=C(CCC(C)C1CCC2C3C(O)C=C4C(O)C(O)C(O)CC4(C)C3CCC12C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
