Glycoside
GD099581
Name:
2,2-dimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,6,7,8,9,10-octahydro-1,11-dioxatetraphen-10-oneFormula:
C24H30O9Smiles:
CC1(C)CCc2cc3c4c(c(=O)oc3c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2O1)CCCC4Aglycone:
CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.5 | Num_heavy_atoms: | 33 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD42302
Formula: C18H20O4
Smiles:
CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
