Glycoside
GD023720
Name:
NoneFormula:
C35H56O10Smiles:
C[C@H]1[C@@H]2[C@H](O[C@@]3(O)[C@H]1OC(C)(C)[C@@H]3O)[C@H](O)[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@@]21CAglycone:
CC1C2OC(C)(C)C(O)C2(O)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD15929
Formula: C30H48O6
Smiles:
CC1C2OC(C)(C)C(O)C2(O)OC2C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C1(C)C2O| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
