Glycoside
GD133627
Name:
Pgl K5Formula:
C64H108O22Smiles:
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(OC(=O)CC)C(OC5CC(O)C(OC)C(C)O5)C4OC)C3OC)C2OC)cc1)OC(=O)C(C)CCCAglycone:
CCC(=O)O.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: | 22 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 7.96 | Num_rotatable_bonds: | 35 |
| MolWt: | 1229.55 | Num_heavy_atoms: | 86 |
| TPSA: | 248.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
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 |
