Glycoside
GD136809
Name:
betalnoside cFormula:
C40H68O12Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CC(OC2OCC(O)C(O)C2O)C2C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CC(O)C2C4(C)CCC(O)C(C)(C)C4CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.97 | Num_heavy_atoms: | 52 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD55296
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CC(O)C2C4(C)CCC(O)C(C)(C)C4CCC23C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
