Glycoside
GD006156
Name:
NoneFormula:
C52H62O12N6Smiles:
C=C1c2c(C)nn(-c3ccc(C#CCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c2N(C)C23CC1C1(C)c4c(C)nn(-c5ccc(C#CCO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c4N(C)C(C)(CC12)C3Aglycone:
C=C1c2c(C)nn(-c3ccc(C#CCO)cc3)c2N(C)C23CC1C1(C)c4c(C)nn(-c5ccc(C#CCO)cc5)c4N(C)C(C)(CC12)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 963.1 | Num_heavy_atoms: | 70 |
| TPSA: | 240.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD05119
Formula: C40H42O2N6
Smiles:
C=C1c2c(C)nn(-c3ccc(C#CCO)cc3)c2N(C)C23CC1C1(C)c4c(C)nn(-c5ccc(C#CCO)cc5)c4N(C)C(C)(CC12)C3| HBA: | 8 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 638.82 | Num_heavy_atoms: | 48 |
| TPSA: | 82.58 | NumAromaticRings: | 4 |
