Glycoside
GD018345
Name:
NoneFormula:
C30H22O8N4Cl2Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(NC=O)C4=O)C(O)C1OAglycone:
O=CNN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 613.41 | Num_heavy_atoms: | 42 |
| TPSA: | 166.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD12960
Formula: C23H10O3N4Cl2
Smiles:
O=CNN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 437.24 | Num_heavy_atoms: | 30 |
| TPSA: | 98.06 | NumAromaticRings: | 5 |
