Glycoside
GD025222
Name:
NoneFormula:
C24H31O11NSSmiles:
CSC1C(C(C)=O)O[C@H](Oc2ccc(C=C(C)C(=O)N[C@@H]3[C@H](O)[C@H](O)[C@@H]4OCO[C@H]4[C@H]3O)cc2O)[C@H]1OAglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1OSugarmoiety:
CSC1C(C(C)=O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 541.58 | Num_heavy_atoms: | 37 |
| TPSA: | 184.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD00098
Formula: C17H21O8N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.35 | Num_heavy_atoms: | 26 |
| TPSA: | 148.71 | NumAromaticRings: | 1 |
