Glycoside
GD003785
Name:
NoneFormula:
C50H66O14Cl2Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7=Cc7cccc(Cl)c7Cl)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3cccc(Cl)c3Cl)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 937.95 | Num_heavy_atoms: | 64 |
| TPSA: | 203.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD03390
Formula: C32H36O5Cl2
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3cccc(Cl)c3Cl)CCC12O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 547.52 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
