Glycoside
GD143551
Name:
dianthosaponin fFormula:
C35H50O12Smiles:
CC1(C(=O)O)CCC23CCC4(C)C5(C)CCC6C(C)(CCC(OC7OCC(O)C(O)C7O)C6(C)C(=O)O)C5C5OC5C4(OC2=O)C3C1Aglycone:
CC1(C(=O)O)CCC23CCC4(C)C5(C)CCC6C(C)(CCC(O)C6(C)C(=O)O)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 192.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD57733
Formula: C30H42O8
Smiles:
CC1(C(=O)O)CCC23CCC4(C)C5(C)CCC6C(C)(CCC(O)C6(C)C(=O)O)C5C5OC5C4(OC2=O)C3C1| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.66 | Num_heavy_atoms: | 38 |
| TPSA: | 133.66 | NumAromaticRings: | 0 |
