Glycoside
GD153269
Name:
2-[(2-{[1-(2,7-dihydroxy-6-methylhept-5-en-2-yl)-4-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxyoxan-4-yl acetateFormula:
C43H72O14Smiles:
CC(=O)OC1C(O)COC(OC2C(OC3CCC4(C)C(CC(O)C5(C)C4CCC4C(C(C)(O)CCC=C(C)CO)CCC45C)C3(C)C)OC(CO)C(O)C2O)C1OAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C)COSugarmoiety:
CC(=O)OC1C(O)COC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD13896
Formula: C30H52O4
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
