Glycoside

GD024156
Name:
NoneFormula:
C42H71O17N5Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CCOC[C@@H]1O[C@H](OCCNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(C)CAglycone:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCO)C(C)C.COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)CSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 22 | RingCount: | 1 |
HBD: | 5 | FractionCSP3: | 0.79 |
AlogP: | 0.94 | Num_rotatable_bonds: | 24 |
MolWt: | 918.05 | Num_heavy_atoms: | 64 |
TPSA: | 287.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD09105
Formula: C16H30O5N2
Smiles:
COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)CHBA: | 7 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.81 |
AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
MolWt: | 330.43 | Num_heavy_atoms: | 23 |
TPSA: | 93.73 | NumAromaticRings: | 0 |
AD09876
Formula: C15H29O5N3
Smiles:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCO)C(C)CHBA: | 8 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 0.8 |
AlogP: | 0.15 | Num_rotatable_bonds: | 7 |
MolWt: | 331.41 | Num_heavy_atoms: | 23 |
TPSA: | 116.76 | NumAromaticRings: | 0 |