Glycoside
GD117908
Name:
Sinomarinoside CFormula:
C47H78O17Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(O)C3(C)C(O)(C(C)OC(=O)CC(C)C)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 915.12 | Num_heavy_atoms: | 64 |
| TPSA: | 230.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47080
Formula: C26H42O7
Smiles:
CC(C)CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.62 | Num_heavy_atoms: | 33 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
