Glycoside
GD120589
Name:
7-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-1-[2-methyl-3-oxo-5-(propan-2-yl)-2,3-dihydrofuran-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,10-dioneFormula:
C41H60O14Smiles:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 776.92 | Num_heavy_atoms: | 55 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD48465
Formula: C30H42O6
Smiles:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
