Glycoside
GD147064
Name:
Plantagiolide IFormula:
C39H53O16ClSmiles:
CC(=O)OC1C(Cl)CC2(O)C3OC3C3C4CC(=O)C(C(C)C5CC(C)=C(COC6OC(CO)C(O)C(O)C6O)C(=O)O5)C4(C)C(OC(C)=O)CC3C2(C)C1OAglycone:
CC(=O)OC1C(Cl)CC2(O)C3OC3C3C4CC(=O)C(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)C(OC(C)=O)CC3C2(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 801.28 | Num_heavy_atoms: | 55 |
| TPSA: | 248.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD58910
Formula: C33H43O11Cl
Smiles:
CC(=O)OC1C(Cl)CC2(O)C3OC3C3C4CC(=O)C(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)C(OC(C)=O)CC3C2(C)C1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 639.14 | Num_heavy_atoms: | 44 |
| TPSA: | 169.19 | NumAromaticRings: | 0 |
