Glycoside
GD006762
Name:
MACROLACTIN WFormula:
C34H48O13Smiles:
C[C@@H]1CCCC=CC=C[C@H](O)C[C@H](O)CC=CC=C[C@H](OC(=O)CCC(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC=CC=CC(=O)O1Aglycone:
CC1CCCC=CC=CC(O)CC(O)CC=CC=CC(OC(=O)CCC(=O)O)CC=CC=CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD05560
Formula: C28H38O8
Smiles:
CC1CCCC=CC=CC(O)CC(O)CC=CC=CC(OC(=O)CCC(=O)O)CC=CC=CC(=O)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 502.6 | Num_heavy_atoms: | 36 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
