Glycoside
GD125475
Name:
Sublanceoside K2Formula:
C55H86O21Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(OC6CC7=CCC8C(=O)OC9COC%10(C)OC=C(CCC8C7(C)CC6O)C9%10)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 14 |
| MolWt: | 1083.27 | Num_heavy_atoms: | 76 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD44956
Formula: C21H28O6
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Sugarmoiety
SD06365
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1O