Glycoside
GD034364
Name:
NoneFormula:
C40H63O8N3Smiles:
CO[C@@H]1O[C@H](Cn2cc(COC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 713.96 | Num_heavy_atoms: | 51 |
| TPSA: | 156.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD21854
Formula: C34H53O3N3
Smiles:
Cn1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 551.82 | Num_heavy_atoms: | 40 |
| TPSA: | 77.24 | NumAromaticRings: | 1 |
