Glycoside

GD026511
Name:
NoneFormula:
C41H66O13N8Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)c1ccnnc1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(NC(=O)c1ccnnc1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 21 | RingCount: | 4 |
HBD: | 11 | FractionCSP3: | 0.73 |
AlogP: | -0.43 | Num_rotatable_bonds: | 29 |
MolWt: | 879.02 | Num_heavy_atoms: | 62 |
TPSA: | 322.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
MolWt: | 112.09 | Num_heavy_atoms: | 8 |
TPSA: | 65.72 | NumAromaticRings: | 1 |
AD17467
Formula: C28H49O5N5
Smiles:
CCCCCCCCCCCCCCCC(NC(=O)c1ccnnc1)C(=O)NCCCNC(CO)C(=O)OHBA: | 10 | RingCount: | 1 |
HBD: | 5 | FractionCSP3: | 0.75 |
AlogP: | 3.6 | Num_rotatable_bonds: | 24 |
MolWt: | 535.73 | Num_heavy_atoms: | 38 |
TPSA: | 153.54 | NumAromaticRings: | 1 |