Glycoside
GD147486
Name:
6-acetyl-8-(acetyloxy)-14-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-9-yl 2-methylbutanoateFormula:
C35H54O10Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(OC4CC(O)C(OC)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OAglycone:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OSugarmoiety:
COC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 130.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD47054
Formula: C28H42O7
Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
