Glycoside

GD111142
Name:
NoneFormula:
C31H31O10N3SSmiles:
CC(=O)OC[C@H]1O[C@@H](n2nc(/C=C\c3ccccc3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1c(C=Cc2ccccc2)n[nH]c(=S)n1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.32 |
AlogP: | 3.19 | Num_rotatable_bonds: | 9 |
MolWt: | 637.67 | Num_heavy_atoms: | 45 |
TPSA: | 154.25 | 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 |
AD44694
Formula: C17H13ON3S
Smiles:
O=c1c(C=Cc2ccccc2)n[nH]c(=S)n1-c1ccccc1HBA: | 4 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 3.46 | Num_rotatable_bonds: | 3 |
MolWt: | 307.38 | Num_heavy_atoms: | 22 |
TPSA: | 50.68 | NumAromaticRings: | 3 |