Glycoside
GD118093
Name:
3-{2-[(2-aminoethyl)[2-({[(4,5,6-trihydroxy-3-propyloxan-2-yl)methyl]carbamothioyl}amino)ethyl]amino]ethyl}-1-{[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.2³,â¶]octadecan-5-yl]methyl}thioureaFormula:
C33H62O13N6S2Smiles:
CCCC1C(CNC(S)=NCCN(CCN)CCN=C(S)NCC2OC3OC4C(CO)OC(OCCCCC2C(O)C3O)C(O)C4O)OC(O)C(O)C1OAglycone:
CNC(S)=NCCN(CCN)CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3OSugarmoiety:
CCCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 15 |
| MolWt: | 815.02 | Num_heavy_atoms: | 54 |
| TPSA: | 286.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD47179
Formula: C25H48O9N6S2
Smiles:
CNC(S)=NCCN(CCN)CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.83 | Num_heavy_atoms: | 42 |
| TPSA: | 216.11 | NumAromaticRings: | 0 |
