Glycoside
GD123149
Name:
25-O-AcetylbryoamarideFormula:
C38H56O13Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 720.85 | Num_heavy_atoms: | 51 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD49678
Formula: C32H46O8
Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.71 | Num_heavy_atoms: | 40 |
| TPSA: | 138.2 | NumAromaticRings: | 0 |
