Glycoside
GD019397
Name:
NoneFormula:
C36H29O10N5Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccnc2ccccc12Aglycone:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccnc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.19 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 691.65 | Num_heavy_atoms: | 51 |
| TPSA: | 222.86 | NumAromaticRings: | 7 |
Unique Aglycone
AD13544
Formula: C30H19O5N5
Smiles:
O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccnc2ccccc12| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.03 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 529.51 | Num_heavy_atoms: | 40 |
| TPSA: | 143.71 | NumAromaticRings: | 7 |
