Glycoside
GD137028
Name:
NoneFormula:
C33H38O10N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCCCC3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCCCC3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.67 | Num_heavy_atoms: | 45 |
| TPSA: | 201.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD55377
Formula: C27H28O5N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(C4=CNC(N)C=C4)CCCCC3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.53 | Num_heavy_atoms: | 34 |
| TPSA: | 121.88 | NumAromaticRings: | 2 |
