Glycoside
GD017701
Name:
14-hydroxy-7-methoxy-3,10-dioxo-13-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl acetateFormula:
C29H26O16Smiles:
COc1c(OC(C)=O)cc2c(=O)oc3c(O)c(O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc4c(=O)oc1c2c34Aglycone:
COc1c(OC(C)=O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.51 | Num_heavy_atoms: | 45 |
| TPSA: | 213.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD12612
Formula: C17H10O9
Smiles:
COc1c(OC(C)=O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 358.26 | Num_heavy_atoms: | 26 |
| TPSA: | 136.41 | NumAromaticRings: | 4 |
