Glycoside
GD013909
Name:
MACROLACTINN PFormula:
C31H46O10Smiles:
CC[C@@H]1CCCC=CC=C[C@H](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:
CCC1CCCC=CC=CC(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: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.7 | Num_heavy_atoms: | 41 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD10311
Formula: C25H36O5
Smiles:
CCC1CCCC=CC=CC(O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 416.56 | Num_heavy_atoms: | 30 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
