Glycoside
GD000321
Name:
MACROLACTIN OFormula:
C30H44O10Smiles:
C[C@@H]1CCCC=CCCC(=O)C[C@H](O)CC=CC=C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC=CC=CC(=O)O1Aglycone:
CC1CCCC=CCCC(=O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00366
Formula: C24H34O5
Smiles:
CC1CCCC=CCCC(=O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
