Glycoside

GD107277
Name:
NoneFormula:
C30H47O15NSmiles:
CC(=O)N[C@H]1[C@@H](OC[C@@H](OC(C)=O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCCC(C)C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)OC(CO)C1OC2OC(C)(C)OC2C1OCCC(C)C.COC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 16 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.83 |
AlogP: | 0.9 | Num_rotatable_bonds: | 14 |
MolWt: | 661.7 | Num_heavy_atoms: | 46 |
TPSA: | 189.68 | 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 |
AD44283
Formula: C16H28O7
Smiles:
CC(=O)OC(CO)C1OC2OC(C)(C)OC2C1OCCC(C)CHBA: | 7 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.94 |
AlogP: | 1.22 | Num_rotatable_bonds: | 7 |
MolWt: | 332.39 | Num_heavy_atoms: | 23 |
TPSA: | 83.45 | NumAromaticRings: | 0 |