Glycoside
GD026733
Name:
Cimiaceroside BFormula:
C35H56O9Smiles:
C[C@@H]1[C@@H]2OC(C)(C)[C@H](O)[C@@]2(O)O[C@@H]2C[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)[C@H](OC6OCC(O)C(O)C6O)CC[C@]56C[C@@]46CC[C@@]3(C)[C@@H]12Aglycone:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD17609
Formula: C30H48O5
Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C21| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
