Glycoside
GD136429
Name:
Pgl K8Formula:
C53H90O18Smiles:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(OC2OC(C)C(O)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)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(OC2C(O)C(C)OC(OC3C(O)C(C)OC(O)C3OC)C2OC)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 29 |
| MolWt: | 1015.29 | Num_heavy_atoms: | 71 |
| TPSA: | 225.82 | 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 |
