Glycoside
GD008930
Name:
NoneFormula:
C27H28O11N4Cl2Smiles:
CO[C@H]1[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@H](O[C@@H]1OC(C(=O)NCCc2ccc(Cl)cc2Cl)=C[C@H](O)[C@H]1O)C(N)=OAglycone:
NC(=O)COC1OC(C(=O)NCCc2ccc(Cl)cc2Cl)=CC(O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 631.42 | Num_heavy_atoms: | 42 |
| TPSA: | 224.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07070
Formula: C18H18O6N2Cl2
Smiles:
NC(=O)COC1OC(C(=O)NCCc2ccc(Cl)cc2Cl)=CC(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.23 | Num_heavy_atoms: | 26 |
| TPSA: | 131.11 | NumAromaticRings: | 1 |
