Glycoside
GD136135
Name:
3,5-Di-O-Acetyl-1-O-[(5Beta,8Alpha,9Beta,10Alpha)-18-Oxokaur-16-En-18-Yl]-Beta-L-ArabinofuranoseFormula:
C29H42O8Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(COC(C)=O)C(OC(C)=O)C5O)CCCC4(C)C2CCC1C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.65 | Num_heavy_atoms: | 37 |
| TPSA: | 108.36 | 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 |
AD55028
Formula: C20H30O2
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
