Glycoside
GD036661
Name:
Ribocyclophane DFormula:
C43H66O11Smiles:
CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(C)=O)c2cc(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)C(O)c2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(OC(C)=O)c2cc(O)c1c(O)c2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 8.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.99 | Num_heavy_atoms: | 54 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD23120
Formula: C38H58O7
Smiles:
CCCCC1CCCCC(C)C(O)c2cc(O)c(c(O)c2)C(CCCC)CCCCC(C)C(OC(C)=O)c2cc(O)c1c(O)c2| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 9.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.88 | Num_heavy_atoms: | 45 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
