Glycoside
GD033452
Name:
Ribocyclophane CFormula:
C41H64O9Smiles:
CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCC)CCCC[C@H](C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2cc(O)c1c(O)c2Aglycone:
CCCCC1CCCCC(C)Cc2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(O)c2cc(O)c1c(O)c2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 8.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 700.95 | Num_heavy_atoms: | 50 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD21351
Formula: C36H56O5
Smiles:
CCCCC1CCCCC(C)Cc2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(O)c2cc(O)c1c(O)c2| HBA: | 5 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 9.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.84 | Num_heavy_atoms: | 41 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
