Glycoside
GD014915
Name:
NoneFormula:
C44H44O8N6Cl4S2Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCNC(=O)C(O)C(O)C(=O)NCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCN)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCN)c2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 15 |
| MolWt: | 942.77 | Num_heavy_atoms: | 60 |
| TPSA: | 197.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD10915
Formula: C20H21O2N3Cl2S
Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCN)c2)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.36 | Num_heavy_atoms: | 26 |
| TPSA: | 75.43 | NumAromaticRings: | 2 |
