Glycoside
GD006045
Name:
SPECTAFLAVOSIDE AFormula:
C46H42O22Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)c(-c4c(O)cc(O)c5c(=O)c(O[C@@H]6O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]6O)c(-c6ccc(O)cc6)oc45)c(O)c3c2=O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc34)c(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 946.82 | Num_heavy_atoms: | 68 |
| TPSA: | 352.24 | NumAromaticRings: | 6 |
Unique Aglycone
AD05039
Formula: C30H18O12
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc34)c(O)c12| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 570.46 | Num_heavy_atoms: | 42 |
| TPSA: | 222.26 | NumAromaticRings: | 6 |
