Glycoside
GD121840
Name:
[4-(acetyloxy)-5-({3-ethenyl-3,4a,7,10a-tetramethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl}methoxy)-3-hydroxyoxolan-2-yl]methyl acetateFormula:
C29H46O8Smiles:
C=CC1(C)CCC2C(C)(CCC3C(C)(COC4OC(COC(C)=O)C(O)C4OC(C)=O)CCCC32C)O1Aglycone:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD01934
Formula: C20H34O2
Smiles:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)CCCC32C)O1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
