Glycoside
GD034977
Name:
SCORZONERINFormula:
C30H36O11Smiles:
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCc3ccc(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12Aglycone:
CC1=CC(=O)C2=C(C)CC(OC(=O)CCc3ccc(O)cc3)C3C(C)C(=O)OC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.61 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD22169
Formula: C24H26O6
Smiles:
CC1=CC(=O)C2=C(C)CC(OC(=O)CCc3ccc(O)cc3)C3C(C)C(=O)OC3C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.47 | Num_heavy_atoms: | 30 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
