Glycoside
GD157479
Name:
NoneFormula:
C42H48O12N6Smiles:
CNC(=N)NC1CCC(CC2c3cc(O)c(OC4(O)OC(CO)C(O)C(O)C4O)cc3N(C(=O)C=Cc3ccc(O)c(CC4=NCN=C4)c3)C2C(=O)O)(c2ccccc2)C1Aglycone:
CNC(=N)NC1CCC(CC2c3cc(O)c(O)cc3N(C(=O)C=Cc3ccc(O)c(CC4=NCN=C4)c3)C2C(=O)O)(c2ccccc2)C1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.4 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 828.88 | Num_heavy_atoms: | 60 |
| TPSA: | 290.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD62254
Formula: C36H38O6N6
Smiles:
CNC(=N)NC1CCC(CC2c3cc(O)c(O)cc3N(C(=O)C=Cc3ccc(O)c(CC4=NCN=C4)c3)C2C(=O)O)(c2ccccc2)C1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.74 | Num_heavy_atoms: | 48 |
| TPSA: | 190.93 | NumAromaticRings: | 3 |
