Glycoside
GD032722
Name:
NoneFormula:
C37H58O11Smiles:
CC(=O)O[C@@H]1[C@@H]2[C@](C)(CCC(=O)C(C)(C)O)OC[C@]23CC[C@@]24C[C@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@@]3(C)[C@H]1OAglycone:
CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD20946
Formula: C32H50O7
Smiles:
CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
