Glycoside
GD131314
Name:
2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-4-hydroxy-5-[(1-hydroxyethenyl)oxy]oxan-3-yl acetateFormula:
C39H56O12Smiles:
C=C(O)OC1COC(OC2CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)CCC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C(OC(C)=O)C1OAglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12CSugarmoiety:
C=C(O)OC1COC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 716.87 | Num_heavy_atoms: | 51 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD12185
Formula: C30H44O6
Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
