Glycoside

GD137118
Name:
NoneFormula:
C56H99O16NSmiles:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(CO)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 17 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.88 |
AlogP: | 11.38 | Num_rotatable_bonds: | 44 |
MolWt: | 1042.4 | Num_heavy_atoms: | 73 |
TPSA: | 229.08 | 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 |
AD55411
Formula: C44H83O8N
Smiles:
CCCCCCCCCCCCCCCCCCC(OC(C)=O)C(O)=NC(CO)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=OHBA: | 9 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.91 |
AlogP: | 11.84 | Num_rotatable_bonds: | 38 |
MolWt: | 754.15 | Num_heavy_atoms: | 53 |
TPSA: | 131.72 | NumAromaticRings: | 0 |