Glycoside
GD000185
Name:
NoneFormula:
C35H39O4N7Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCC(c4ccccc4)c4ccccc4)nc(NCCC4CNc5ccccc54)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NCCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 621.74 | Num_heavy_atoms: | 46 |
| TPSA: | 149.61 | NumAromaticRings: | 5 |
Unique Aglycone
AD00223
Formula: C30H30N7
Smiles:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NCCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.62 | Num_heavy_atoms: | 37 |
| TPSA: | 88.33 | NumAromaticRings: | 4 |
