Glycoside
GD149746
Name:
3a,6,6,9b,11a-pentamethyl-1-(6-methyl-5-oxohept-2-en-2-yl)-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-oneFormula:
C41H64O12Smiles:
CC(=CCC(=O)C(C)C)C1C(OC2OC(C)C(O)C(O)C2O)CC2(C)C3CC=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(=CCC(=O)C(C)C)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 748.95 | Num_heavy_atoms: | 53 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD59862
Formula: C30H46O4
Smiles:
CC(=CCC(=O)C(C)C)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
