Glycoside
GD018305
Name:
NoneFormula:
C33H42O4N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCN3CCCCC3)nc2NCC(c2ccccc2)c2ccccc2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 614.75 | Num_heavy_atoms: | 45 |
| TPSA: | 149.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12939
Formula: C26H30N7
Smiles:
C1=Nc2c(nc(NCCN3CCCCC3)nc2NCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 440.58 | Num_heavy_atoms: | 33 |
| TPSA: | 79.54 | NumAromaticRings: | 3 |
