Glycoside
GD131312
Name:
methyl 15,16-dihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4,10-dioxo-11-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5,18-dioxapentacyclo[12.5.0.0¹,â¶.0²,¹â·.0â¸,¹³]nonadec-11-ene-17-carboxylateFormula:
C31H40O15Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OCC(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 652.65 | Num_heavy_atoms: | 46 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD05395
Formula: C26H32O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 165.89 | NumAromaticRings: | 0 |
