Glycoside
GD025275
Name:
Atratoglaucoside AFormula:
C35H52O12Smiles:
CO[C@H]1[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@H]43)[C@H]56)C2)[C@H]1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 140.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00194
Formula: C21H28O5
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
