Glycoside
GD123308
Name:
Brasilinolide CFormula:
C49H88O20Smiles:
CC1CCC(O)CC(O)CC(O)CC=CC(=O)OC(C(C)C(O)C(C)C(O)C(C)C(C)OC2CC(O)C(O)C(C)O2)C(C)C2OC2C(O)CCCC(O)CC(O)CC2CC(O)C(O)C(O)(CC1O)O2Aglycone:
CC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CCCC(O)C3OC3C1C)CC(O)C2OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 997.22 | Num_heavy_atoms: | 69 |
| TPSA: | 349.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD49749
Formula: C43H78O17
Smiles:
CC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CC(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CCCC(O)C3OC3C1C)CC(O)C2O| HBA: | 17 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 867.08 | Num_heavy_atoms: | 60 |
| TPSA: | 311.05 | NumAromaticRings: | 0 |
