Glycoside
GD115972
Name:
Pgl K6Formula:
C61H104O21Smiles:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(OC2OC(C)C(OC)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(OC5CC(O)C(OC)C(C)O5)C4OC)C3OC)C2OC)cc1)OC(=O)C(C)CCCAglycone:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O)cc1)OC(=O)C(C)CCCSugarmoiety:
COC1C(O)CC(OC2C(O)C(C)OC(OC3C(O)C(C)OC(OC4C(OC)C(C)OC(O)C4OC)C3OC)C2OC)OC1COther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 7.0 | Num_rotatable_bonds: | 33 |
| MolWt: | 1173.48 | Num_heavy_atoms: | 82 |
| TPSA: | 242.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD45971
Formula: C32H54O6
Smiles:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O)cc1)OC(=O)C(C)CCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 7.64 | Num_rotatable_bonds: | 20 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
