Glycoside
GD136179
Name:
NoneFormula:
C37H58O12Smiles:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(CCCC(C)(C)O)C13OAglycone:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(CCCC(C)(C)O)C13OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 694.86 | Num_heavy_atoms: | 49 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD55046
Formula: C32H50O8
Smiles:
CC(=O)OC1CC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C23C(=O)OC(C)(CCCC(C)(C)O)C13O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.74 | Num_heavy_atoms: | 40 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
