Glycoside

GD011456
Name:
NoneFormula:
C41H50O16N2Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc3cc(NC(=O)CCCCC(=O)Nc4cc5ccc(O[C@@H]6OC(C)(C)[C@H](OC)[C@H](O)[C@H]6O)c(C)c5oc4=O)c(=O)oc3c2)OC1(C)CAglycone:
Cc1c(O)ccc2cc(NC(=O)CCCCC(=O)Nc3cc4ccc(O)cc4oc3=O)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: | 6 |
HBD: | 6 | FractionCSP3: | 0.51 |
AlogP: | 2.85 | Num_rotatable_bonds: | 13 |
MolWt: | 826.85 | Num_heavy_atoms: | 59 |
TPSA: | 254.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD08760
Formula: C25H22O8N2
Smiles:
Cc1c(O)ccc2cc(NC(=O)CCCCC(=O)Nc3cc4ccc(O)cc4oc3=O)c(=O)oc12HBA: | 10 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.2 |
AlogP: | 3.76 | Num_rotatable_bonds: | 7 |
MolWt: | 478.46 | Num_heavy_atoms: | 35 |
TPSA: | 159.08 | NumAromaticRings: | 4 |