Glycoside
GD028443
Name:
OLIGOPORIN BFormula:
C36H56O9Smiles:
CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)C3=C[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]12C)C(=O)OAglycone:
CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C12C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD18578
Formula: C30H46O4
Smiles:
CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CC(O)C12C)C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 6.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
