Glycoside
GD141373
Name:
NoneFormula:
C32H37O10N3Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCNCC3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCNCC3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 623.66 | Num_heavy_atoms: | 45 |
| TPSA: | 213.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD56961
Formula: C26H27O5N3
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCNCC3)cc(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.52 | Num_heavy_atoms: | 34 |
| TPSA: | 133.91 | NumAromaticRings: | 2 |
