Glycoside
GD030458
Name:
NoneFormula:
C48H71O13NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)Nc6ccc(C(=O)O)cc6)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)Nc3ccc(C(=O)O)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 870.09 | Num_heavy_atoms: | 62 |
| TPSA: | 224.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD19709
Formula: C37H53O5N
Smiles:
CC1(C)CCC2(C(=O)Nc3ccc(C(=O)O)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 7.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 591.83 | Num_heavy_atoms: | 43 |
| TPSA: | 106.86 | NumAromaticRings: | 1 |
