Glycoside
GD143666
Name:
Oligostatin DFormula:
C37H65O29NSmiles:
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(O)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)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 5 |
| HBD: | 21 | FractionCSP3: | 0.97 |
| AlogP: | -14.02 | Num_rotatable_bonds: | 19 |
| MolWt: | 987.91 | Num_heavy_atoms: | 67 |
| TPSA: | 507.54 | 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
SD08989
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