Glycoside
GD004366
Name:
NoneFormula:
C33H28O10N4Smiles:
O=C1c2c(c3c4cccc(O)c4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4c(O)cccc4c23)C(=O)N1NCc1cccc(O)c1Aglycone:
O=C1c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C(=O)N1NCc1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 640.61 | Num_heavy_atoms: | 47 |
| TPSA: | 220.97 | NumAromaticRings: | 6 |
Unique Aglycone
AD03822
Formula: C27H18O5N4
Smiles:
O=C1c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C(=O)N1NCc1cccc(O)c1| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.04 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.46 | Num_heavy_atoms: | 36 |
| TPSA: | 141.68 | NumAromaticRings: | 6 |
