Glycoside

GD027652
Name:
NoneFormula:
C50H52O16N2Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)c4cccc(-c5cccc(C(=O)Nc6cc7ccc(O[C@@H]8OC(C)(C)[C@H](OC)[C@H](O)[C@H]8O)c(C)c7oc6=O)c5)c4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)c3cccc(-c4cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c4)c3)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
HBA: | 18 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.36 |
AlogP: | 5.19 | Num_rotatable_bonds: | 11 |
MolWt: | 936.96 | Num_heavy_atoms: | 68 |
TPSA: | 254.92 | NumAromaticRings: | 6 |
Unique Aglycone
AD18144
Formula: C34H24O8N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)c3cccc(-c4cccc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)c4)c3)c(=O)oc12HBA: | 10 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.06 |
AlogP: | 6.1 | Num_rotatable_bonds: | 5 |
MolWt: | 588.57 | Num_heavy_atoms: | 44 |
TPSA: | 159.08 | NumAromaticRings: | 6 |