Glycoside
GD027775
Name:
OLIGOPORIN CFormula:
C36H56O10Smiles:
CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)C(=O)OAglycone:
CC(=CCCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD18219
Formula: C30H46O5
Smiles:
CC(=CCCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
