Glycoside

GD106055
Name:
NoneFormula:
C26H38O15N2Smiles:
CC(=O)N[C@@H]1[C@@H](OC(C)=O)C[C@@H](COC(C)=O)O[C@H]1O[C@@H]1[C@@H](COC(C)=O)O[C@@H](OC(C)=O)[C@H](NC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)NC1C(O)OC(COC(C)=O)CC1OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)NC1C(OC(C)=O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 17 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.73 |
AlogP: | -1.23 | Num_rotatable_bonds: | 11 |
MolWt: | 618.59 | Num_heavy_atoms: | 43 |
TPSA: | 217.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44103
Formula: C12H19O7N
Smiles:
CC(=O)NC1C(O)OC(COC(C)=O)CC1OC(C)=OHBA: | 8 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.75 |
AlogP: | -0.91 | Num_rotatable_bonds: | 4 |
MolWt: | 289.28 | Num_heavy_atoms: | 20 |
TPSA: | 111.16 | NumAromaticRings: | 0 |