Glycoside
GD034275
Name:
NoneFormula:
C42H62O15Smiles:
COC1C(O)C(C)OC(O[C@@H]2C(OC)COC(O[C@@H]3C[C@@H]4CC(=O)[C@]5(O)O[C@H](C[C@H]5C)C(C)(C)[C@H](C=Cc5ccccc5)OC(=O)C[C@H](O4)[C@H]3C)[C@H]2OC)[C@H]1OCAglycone:
CC1C(O)CC2CC(=O)C3(O)OC(CC3C)C(C)(C)C(C=Cc3ccccc3)OC(=O)CC1O2Sugarmoiety:
COC1COC(O)C(OC)C1OC1OC(C)C(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 806.94 | Num_heavy_atoms: | 57 |
| TPSA: | 176.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD21806
Formula: C27H36O7
Smiles:
CC1C(O)CC2CC(=O)C3(O)OC(CC3C)C(C)(C)C(C=Cc3ccccc3)OC(=O)CC1O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.58 | Num_heavy_atoms: | 34 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
