Glycoside
GD122661
Name:
2,9,13-trihydroxy-15-(6-hydroxy-6-methyl-4-oxoheptan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,â¸.0¹²,¹â¶]octadeca-1(18),3(8)-dien-14-oneFormula:
C35H54O11Smiles:
CC(CC(=O)CC(C)(C)O)C1C(=O)C(O)C2(C)C3CC(O)C4=C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C(O)C3=CCC12CAglycone:
CC(CC(=O)CC(C)(C)O)C1C(=O)C(O)C2(C)C3CC(O)C4=C(CCC(O)C4(C)C)C(O)C3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.81 | Num_heavy_atoms: | 46 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD49449
Formula: C30H46O7
Smiles:
CC(CC(=O)CC(C)(C)O)C1C(=O)C(O)C2(C)C3CC(O)C4=C(CCC(O)C4(C)C)C(O)C3=CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
