Glycoside
GD123937
Name:
[3,4,5-tris(acetyloxy)-6-({2-methyl-10-methylidene-4,11-dioxo-12-oxatricyclo[7.3.1.0¹,âµ]trideca-2,5-dien-6-yl}methoxy)oxan-2-yl]methyl acetateFormula:
C29H34O13Smiles:
C=C1C(=O)OC23CC1CCC(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)=C2C(=O)C=C3CAglycone:
C=C1C(=O)OC23CC1CCC(CO)=C2C(=O)C=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: | 0.59 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.58 | 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 |
AD10218
Formula: C15H16O4
Smiles:
C=C1C(=O)OC23CC1CCC(CO)=C2C(=O)C=C3C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
