Glycoside
GD030551
Name:
NoneFormula:
C59H39O10N5F18S2Smiles:
CN1CC2C3=NC(=C(c4c(F)c(F)c(S[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c5F)=C5C=CC(=N5)C3c3c(F)c(F)c(F)c(F)c3F)C=C4)C2C1Aglycone:
CN1CC2C3=NC(=C(c4c(F)c(F)c(S)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(S)c(F)c5F)=C5C=CC(=N5)C3c3c(F)c(F)c(F)c(F)c3F)C=C4)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 12 |
| HBD: | 9 | FractionCSP3: | 0.31 |
| AlogP: | 7.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 1384.08 | Num_heavy_atoms: | 94 |
| TPSA: | 236.41 | NumAromaticRings: | 5 |
Unique Aglycone
AD19764
Formula: C47H19N5F18S2
Smiles:
CN1CC2C3=NC(=C(c4c(F)c(F)c(S)c(F)c4F)C4=NC(=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(S)c(F)c5F)=C5C=CC(=N5)C3c3c(F)c(F)c(F)c(F)c3F)C=C4)C2C1| HBA: | 5 | RingCount: | 10 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 12.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 1059.8 | Num_heavy_atoms: | 72 |
| TPSA: | 56.11 | NumAromaticRings: | 5 |
