Glycoside
GD125776
Name:
NoneFormula:
C42H48O12N4Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OAglycone:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 800.86 | Num_heavy_atoms: | 58 |
| TPSA: | 268.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD50876
Formula: C36H38O6N4
Smiles:
CCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.72 | Num_heavy_atoms: | 46 |
| TPSA: | 169.04 | NumAromaticRings: | 3 |
