Glycoside
GD140318
Name:
Phlomisoside IiFormula:
C32H50O12Smiles:
CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(C)(C)C2CC1Aglycone:
CC1=C(CCc2ccoc2)C2(C)CCC(O)C(C)(C)C2CC1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.74 | Num_heavy_atoms: | 44 |
| TPSA: | 191.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45383
Formula: C20H30O2
Smiles:
CC1=C(CCc2ccoc2)C2(C)CCC(O)C(C)(C)C2CC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.46 | Num_heavy_atoms: | 22 |
| TPSA: | 33.37 | NumAromaticRings: | 1 |
