Glycoside
GD139387
Name:
Spergulin BFormula:
C39H64O11Smiles:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC21CAglycone:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 708.93 | Num_heavy_atoms: | 50 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD47806
Formula: C28H46O3
Smiles:
C=C1CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
