Glycoside
GD009642
Name:
NoneFormula:
C54H78O14N4Smiles:
COC(=O)c1ccccc1-n1cc(COC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6NC(C)=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)nn1Aglycone:
COC(=O)c1ccccc1-n1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 1007.23 | Num_heavy_atoms: | 72 |
| TPSA: | 250.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD07543
Formula: C41H57O5N3
Smiles:
COC(=O)c1ccccc1-n1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1| HBA: | 8 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 8.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 671.92 | Num_heavy_atoms: | 49 |
| TPSA: | 103.54 | NumAromaticRings: | 2 |
