Glycoside
GD149007
Name:
6-[19-(dimethoxymethyl)-10,13,17-trihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.0²,¹âµ.0âµ,¹â´.0â·,¹².0¹â·,²¹]docosane-18,2'-oxirane]-2(15),3,5(14),6,12-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetateFormula:
C34H40O16Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1Aglycone:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2OSugarmoiety:
CC(=O)OC1C(C)OC(O)CC1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| TPSA: | 210.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD06962
Formula: C25H26O12
Smiles:
COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O)(O4)C31CO1)C(=O)C(O)CC2O| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 165.9 | NumAromaticRings: | 2 |
