Glycoside
GD119480
Name:
Robeneoside BFormula:
C45H73O17NSmiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(O)C3(C)C1C2CAglycone:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 900.07 | Num_heavy_atoms: | 63 |
| TPSA: | 278.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD47877
Formula: C27H43O3N
Smiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
