Glycoside
GD032627
Name:
NoneFormula:
C41H68O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@@]45C[C@]46CC[C@]4(C)[C@H]([C@]7(C)CC[C@H](C(C)(C)O)O7)[C@H](O)C[C@@]4(C)[C@H]6[C@H](O)C[C@H]5C3(C)C)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD20896
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
