Glycoside
GD000214
Name:
GLOCHIERIOSIDE AFormula:
C48H72O14Smiles:
CC1(C)C[C@H](OC(=O)c2ccccc2)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CC(OC(=O)c2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 873.09 | Num_heavy_atoms: | 62 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00249
Formula: C37H54O5
Smiles:
CC1(C)CC(OC(=O)c2ccccc2)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 578.83 | Num_heavy_atoms: | 42 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
