Glycoside
GD024468
Name:
NoneFormula:
C44H52O8N4Smiles:
C[C@@H]1C(=O)N(Cc2cn(C3OC(COCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]42OO3Aglycone:
CC1CCC2C(C)C(=O)N(CC3=C[N]N=N3)C3OC4(C)CCC1C23OO4.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 764.92 | Num_heavy_atoms: | 56 |
| TPSA: | 115.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD16327
Formula: C18H25O4N4
Smiles:
CC1CCC2C(C)C(=O)N(CC3=C[N]N=N3)C3OC4(C)CCC1C23OO4| HBA: | 8 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 361.42 | Num_heavy_atoms: | 26 |
| TPSA: | 86.82 | NumAromaticRings: | 0 |
