Glycoside
GD124541
Name:
[3,4,5-tris(acetyloxy)-6-({2,10-dimethyl-4,11-dioxo-12-oxatricyclo[7.3.1.0¹,âµ]trideca-2,5-dien-6-yl}methoxy)oxan-2-yl]methyl acetateFormula:
C29H36O13Smiles:
CC(=O)OCC1OC(OCC2=C3C(=O)C=C(C)C34CC(CC2)C(C)C(=O)O4)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1=CC(=O)C2=C(CO)CCC3CC12OC(=O)C3C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.66 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.59 | Num_heavy_atoms: | 42 |
| TPSA: | 167.03 | 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 |
AD50317
Formula: C15H18O4
Smiles:
CC1=CC(=O)C2=C(CO)CCC3CC12OC(=O)C3C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
