Glycoside

GD000934
Name:
NoneFormula:
C28H26O10N2SBr2Smiles:
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1c2cc(Br)cc(Br)c2[nH]c(=S)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.36 |
AlogP: | 4.3 | Num_rotatable_bonds: | 7 |
MolWt: | 742.4 | Num_heavy_atoms: | 43 |
TPSA: | 141.36 | NumAromaticRings: | 3 |
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 |
AD00977
Formula: C14H8ON2SBr2
Smiles:
O=c1c2cc(Br)cc(Br)c2[nH]c(=S)n1-c1ccccc1HBA: | 3 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 4.57 | Num_rotatable_bonds: | 1 |
MolWt: | 412.11 | Num_heavy_atoms: | 20 |
TPSA: | 37.79 | NumAromaticRings: | 3 |