Glycoside
GD028085
Name:
NoneFormula:
C29H21O8N3Cl2Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(O)C4=O)C(O)C1OAglycone:
O=C1c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C(=O)N1OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 586.38 | Num_heavy_atoms: | 40 |
| TPSA: | 157.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD18387
Formula: C22H9O3N3Cl2
Smiles:
O=C1c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C(=O)N1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 410.22 | Num_heavy_atoms: | 28 |
| TPSA: | 89.19 | NumAromaticRings: | 5 |
