Glycoside
GD002025
Name:
NoneFormula:
C37H60O10Smiles:
CC(=O)O[C@H]([C@@H]1C[C@H](C)[C@@H]2[C@H](O1)[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@]21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01969
Formula: C32H52O6
Smiles:
CC(=O)OC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
