Glycoside
GD036342
Name:
At2433-A4Formula:
C29H24O7N3ClSmiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1OAglycone:
CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 549.97 | Num_heavy_atoms: | 39 |
| TPSA: | 137.25 | NumAromaticRings: | 5 |
Unique Aglycone
AD02894
Formula: C22H12O2N3Cl
Smiles:
CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 373.8 | Num_heavy_atoms: | 27 |
| TPSA: | 68.96 | NumAromaticRings: | 5 |
