Glycoside
GD125818
Name:
Borassoside CFormula:
C45H72O18Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(OCC(CO)CC6O)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(CO)CC2OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD23586
Formula: C27H42O5
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(CO)CC2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
