Glycoside
GD156981
Name:
8-hydroxy-3a,9a,11a-trimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C40H66O16Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(C)C3=CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(O)CC4(C)C3CCC12CAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(C)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 802.95 | Num_heavy_atoms: | 56 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD62107
Formula: C28H46O6
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(C)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
