Glycoside

GD157585
Name:
[13-(acetyloxy)-8-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-4a-yl]methyl acetateFormula:
C41H62O11Smiles:
CC(=O)OCC12CC=C(C)C(C)C1C1CC(OC(C)=O)C3C4(C)CCC(=O)C(C)(C)C4C(OC4OCC(O)C(O)C4OC(C)=O)CC3(C)C1(C)CC2Aglycone:
CC(=O)OCC12CC=C(C)C(C)C1C1CC(OC(C)=O)C3C4(C)CCC(=O)C(C)(C)C4C(O)CC3(C)C1(C)CC2Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 5.32 | Num_rotatable_bonds: | 6 |
MolWt: | 730.94 | Num_heavy_atoms: | 52 |
TPSA: | 154.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD62293
Formula: C34H52O6
Smiles:
CC(=O)OCC12CC=C(C)C(C)C1C1CC(OC(C)=O)C3C4(C)CCC(=O)C(C)(C)C4C(O)CC3(C)C1(C)CC2HBA: | 6 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.85 |
AlogP: | 6.29 | Num_rotatable_bonds: | 3 |
MolWt: | 556.78 | Num_heavy_atoms: | 40 |
TPSA: | 89.9 | NumAromaticRings: | 0 |