Glycoside
GD034731
Name:
Urginin CFormula:
C42H60O18Smiles:
C[C@@H]1O[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C=O)CC2)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 852.92 | Num_heavy_atoms: | 60 |
| TPSA: | 284.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD14335
Formula: C24H30O5
Smiles:
CC12CCC3C(CCC4=CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
