Glycoside
GD118577
Name:
methyl 3-{[4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-15,16-dihydroxy-9,13-dimethyl-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:
C35H46O17Smiles:
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(C)(C)OC(C)=O)C24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C24Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 738.74 | Num_heavy_atoms: | 52 |
| TPSA: | 251.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD15458
Formula: C30H38O13
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C24| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 606.62 | Num_heavy_atoms: | 43 |
| TPSA: | 192.19 | NumAromaticRings: | 0 |
