Glycoside
GD120486
Name:
Sarasinoside I2Formula:
C63H102O28N2Smiles:
COC1CC(C(C)CC(=O)C=C(C)C)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(OC2OCC(OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C2OC2OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C2N=C(C)O)CCC13CAglycone:
COC1CC(C(C)CC(=O)C=C(C)C)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13CSugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.89 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 21 |
| MolWt: | 1335.5 | Num_heavy_atoms: | 93 |
| TPSA: | 467.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD11178
Formula: C30H48O4
Smiles:
COC1CC(C(C)CC(=O)C=C(C)C)C2(C)CCC3(O)C(=C12)CCC1C(C)(C)C(O)CCC13C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD04546
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O