Glycoside
GD004130
Name:
11a-methyl-1-(6-methylheptan-2-yl)-9a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C33H54O7Smiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(CO)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.79 | Num_heavy_atoms: | 40 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD03654
Formula: C27H44O2
Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(CO)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 6.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.65 | Num_heavy_atoms: | 29 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
