Glycoside
GD013833
Name:
NoneFormula:
C35H36O12N3ClSmiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)CAglycone:
CC(C)C(=O)Nc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 714.12 | Num_heavy_atoms: | 50 |
| TPSA: | 218.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD10261
Formula: C21H17O7N2Cl
Smiles:
CC(C)C(=O)Nc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.82 | Num_heavy_atoms: | 30 |
| TPSA: | 149.1 | NumAromaticRings: | 3 |
