Glycoside
GD139671
Name:
6-(5,5-dimethyloxolan-2-yl)-5-hydroxy-2,6,13,17,17-pentamethyl-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-7-oxapentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icosa-1(20),11-dien-8-oneFormula:
C35H52O9Smiles:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(=CCC6C5(C)CCC(OC5OCC(O)C(O)C5O)C6(C)C)C3(C)CCC24O)O1Aglycone:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(=CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 616.79 | Num_heavy_atoms: | 44 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56322
Formula: C30H44O5
Smiles:
CC1(C)CCC(C2(C)OC(=O)C34CC=C5C(=CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
