Glycoside

GD017851
Name:
RONEPARSTATFormula:
C28H46O26N2SSmiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2C(C(=O)O)O[C@H](O[C@@H]3[C@H](CO)O[C@H](O[C@H](CO)C(O[C@H](O)CO)C(=O)O)[C@H](NC(C)=O)[C@H]3O)[C@H](OS(=O)(=O)O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)OSugarmoiety:
CC(=O)NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC(CO)C(OC(O)CO)C(=O)O)C(NC(C)=O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 28 | RingCount: | 3 |
HBD: | 14 | FractionCSP3: | 0.86 |
AlogP: | -9.2 | Num_rotatable_bonds: | 19 |
MolWt: | 858.73 | Num_heavy_atoms: | 57 |
TPSA: | 443.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
MolWt: | 98.08 | Num_heavy_atoms: | 5 |
TPSA: | 74.6 | NumAromaticRings: | 0 |
Sugarmoiety

SD02171
CC(=O)NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC(CO)C(OC(O)CO)C(=O)O)C(NC(C)=O)C3O)C(O)C2O)OC(CO)C(O)C1O