Glycoside
GD011296
Name:
NoneFormula:
C33H33O6N4ClSmiles:
COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H](O)[C@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)NCC2Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 605.09 | Num_heavy_atoms: | 43 |
| TPSA: | 126.15 | NumAromaticRings: | 4 |
Unique Aglycone
AD01153
Formula: C11H13N3
Smiles:
CC(N)c1ccc(-n2cccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
AD08646
Formula: C18H18O2NCl
Smiles:
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)NCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.79 | Num_heavy_atoms: | 21 |
| TPSA: | 30.49 | NumAromaticRings: | 2 |
