Glycoside
GD006108
Name:
NoneFormula:
C38H56O13Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)[C@@]2(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CCc4cc(O)ccc4C3CCC21CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.85 | Num_heavy_atoms: | 51 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD04402
Formula: C26H38O4
Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CCc4cc(O)ccc4C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.59 | Num_heavy_atoms: | 30 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
