Glycoside
GD153798
Name:
methyl 5,9-dimethyl-14-methylidene-15-{[3,4,5-tris(acetyloxy)-6-[(prop-1-en-2-yloxy)methyl]oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C36H52O11Smiles:
C=C(C)OCC1OC(OC2C(=C)C3CCC4C5(C)CCCC(C)(C(=O)OC)C5CCC24C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
C=C(C)OC.C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC)C4CCC3(C2)C1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 660.8 | Num_heavy_atoms: | 47 |
| TPSA: | 132.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD61137
Formula: C4H8O
Smiles:
C=C(C)OC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD61138
Formula: C21H32O3
Smiles:
C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC)C4CCC3(C2)C1O| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
