Glycoside
GD130179
Name:
NoneFormula:
C48H72O16Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(C)CC(O)C5OC5OCC(O)C(O)C5O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13Sugarmoiety:
CC1CC(O)C(OC2OCC(O)C(O)C2O)C(OC2C(O)OCC(O)C2O)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 905.09 | Num_heavy_atoms: | 64 |
| TPSA: | 229.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01432
Formula: C32H46O5
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 6.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.72 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
