Glycoside
GD020981
Name:
SWERTIFRANCHESIDEFormula:
C35H28O17Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)c([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc45)cc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc45)cc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.2 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.59 | Num_heavy_atoms: | 52 |
| TPSA: | 301.41 | NumAromaticRings: | 6 |
Unique Aglycone
AD14401
Formula: C29H18O12
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc45)cc(O)c3oc2c1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.03 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 558.45 | Num_heavy_atoms: | 41 |
| TPSA: | 211.26 | NumAromaticRings: | 6 |
