Glycoside
GD139557
Name:
Oligostatin EFormula:
C43H75O34NSmiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)C1OAglycone:
NC1C(O)C(O)C(O)C(CO)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 6 |
| HBD: | 24 | FractionCSP3: | 0.98 |
| AlogP: | -16.2 | Num_rotatable_bonds: | 22 |
| MolWt: | 1150.05 | Num_heavy_atoms: | 78 |
| TPSA: | 586.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD49231
Formula: C7H15O5N
Smiles:
NC1C(O)C(O)C(O)C(CO)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.2 | Num_heavy_atoms: | 13 |
| TPSA: | 127.17 | NumAromaticRings: | 0 |
Sugarmoiety
SD08466
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O