Glycoside
GD155004
Name:
1-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[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]phenanthrene-7,10-dioneFormula:
C36H56O12Smiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)CCC(C(C)(O)CO)O3)C(O)CC12CAglycone:
CC1(C)C(=O)C(O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)CCC(C(C)(O)CO)O3)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.83 | Num_heavy_atoms: | 48 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD61520
Formula: C30H46O7
Smiles:
CC1(C)C(=O)C(O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C3(C)CCC(C(C)(O)CO)O3)C(O)CC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
