Glycoside
GD010427
Name:
MURUCOIDIN VIFormula:
C63H110O25Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@H]4[C@@H](O[C@@H](CO)[C@@H](O)[C@H]4O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(CO)C(O)C3O)C2O.CCCCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 25 |
| MolWt: | 1267.55 | Num_heavy_atoms: | 88 |
| TPSA: | 353.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD08049
Formula: C28H50O11
Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(CO)C(O)C3O)C2O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.7 | Num_heavy_atoms: | 39 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
