Glycoside
GD140601
Name:
1-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,3a-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C33H52O14Smiles:
CC(=O)C1CC(O)C2(O)C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1CC(O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.76 | Num_heavy_atoms: | 47 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD56688
Formula: C21H32O4
Smiles:
CC(=O)C1CC(O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
