Glycoside
GD036613
Name:
NoneFormula:
C30H42O11Smiles:
C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]43CO)[C@@]1(O)CC[C@H]2c1ccc(=O)oc1Aglycone:
CC12CC(O)C3C(CCC4=CC(O)CCC43CO)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 190.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD23082
Formula: C24H32O6
Smiles:
CC12CC(O)C3C(CCC4=CC(O)CCC43CO)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.51 | Num_heavy_atoms: | 30 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
