Glycoside
GD118264
Name:
Gulmirecin BFormula:
C22H34O9Smiles:
CC=C(C)C1CC=C(C)C(OC2OC(CO)C(O)C2O)C(O)C(=O)CCC(C)C(=O)O1Aglycone:
CC=C(C)C1CC=C(C)C(O)C(O)C(=O)CCC(C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 442.51 | Num_heavy_atoms: | 31 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47270
Formula: C17H26O5
Smiles:
CC=C(C)C1CC=C(C)C(O)C(O)C(=O)CCC(C)C(=O)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 310.39 | Num_heavy_atoms: | 22 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
