Glycoside
GD120896
Name:
2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-4-hydroxy-6-methyloxan-3-yl acetateFormula:
C38H58O11Smiles:
CC(=O)OC1C(O)CC(C)OC1OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)OAglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC(=O)OC1C(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 690.87 | Num_heavy_atoms: | 49 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD46380
Formula: C30H46O7
Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
