Glycoside
GD146840
Name:
NoneFormula:
C28H29O12N3Smiles:
O=C(O)C1Cc2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 599.55 | Num_heavy_atoms: | 43 |
| TPSA: | 242.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD47822
Formula: C22H19O6N3
Smiles:
O=C(O)C1Cc2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.41 | Num_heavy_atoms: | 31 |
| TPSA: | 143.02 | NumAromaticRings: | 2 |
