Glycoside
GD129438
Name:
3-[(6-{14',15'-dimethoxy-8',17'-dioxaspiro[cyclopentane-1,9'-tetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadecane]-2',4',6',11'(16'),12',14'-hexaeneoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acidFormula:
C30H34O13Smiles:
COc1ccc2c(c1OC)OC1c3ccc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OC3(CCCC3)C21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCCC3)C21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.59 | Num_heavy_atoms: | 43 |
| TPSA: | 179.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD52436
Formula: C21H22O5
Smiles:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OC3(CCCC3)C21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.4 | Num_heavy_atoms: | 26 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
