Glycoside

GD034658
Name:
NoneFormula:
C37H66O12N4Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1OC(O)[C@H](NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]1OAglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O.CCCCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 1 |
HBD: | 8 | FractionCSP3: | 0.84 |
AlogP: | 2.49 | Num_rotatable_bonds: | 29 |
MolWt: | 758.95 | Num_heavy_atoms: | 53 |
TPSA: | 252.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00987
Formula: C11H19O6N3
Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=OHBA: | 9 | RingCount: | 0 |
HBD: | 6 | FractionCSP3: | 0.64 |
AlogP: | -2.29 | Num_rotatable_bonds: | 8 |
MolWt: | 289.29 | Num_heavy_atoms: | 20 |
TPSA: | 158.82 | NumAromaticRings: | 0 |
AD02574
Formula: C19H38O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.95 |
AlogP: | 6.42 | Num_rotatable_bonds: | 16 |
MolWt: | 298.51 | Num_heavy_atoms: | 21 |
TPSA: | 26.3 | NumAromaticRings: | 0 |