Glycoside
GD158108
Name:
NoneFormula:
C44H48O12N4Smiles:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 824.88 | Num_heavy_atoms: | 60 |
| TPSA: | 254.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD62439
Formula: C38H38O6N4
Smiles:
O=C(O)C1C(CC23c4c5cccc4NCC2CCCC3CC5)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.74 | Num_heavy_atoms: | 48 |
| TPSA: | 155.05 | NumAromaticRings: | 3 |
