Glycoside
...
GD145219

Name:
3-[1,3-bis(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propoxy)-2-[(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propoxy)methyl]propan-2-yl]-1-(2-{bis[2-({[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-4,5-dihydroxy-3-methyloxan-2-yl)methyl]carbamothioyl}amino)ethyl]amino}ethyl)thiourea

Formula:
C68H125O36N7S6

Smiles:
COC1OC(CO)C(OC2OC(CNC(S)=NCCN(CCN=C(S)NCC3OC(OC4C(CO)OC(OC)C(O)C4O)C(O)C(O)C3C)CCN=C(S)NC(COCCCSC3OC(CO)C(O)C(O)C3O)(COCCCSC3OC(CO)C(O)C(O)C3O)COCCCSC3OC(CO)C(O)C(O)C3O)C(C)C(O)C2O)C(O)C1O

Aglycone:
CNC(S)=NCCN(CCN=C(S)NC)CCN=C(S)NC(COCCCS)(COCCCS)COCCCS

Sugarmoiety:
COC1OC(CO)C(OC2OC(O)C(C)C(O)C2O)C(O)C1O.COC1OC(CO)C(OC2OC(O)C(C)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 7
HBD: 25 FractionCSP3: 0.96
AlogP: -11.42 Num_rotatable_bonds: 46
MolWt: 1809.16 Num_heavy_atoms: 117
TPSA: 650.69 NumAromaticRings: 0

Unique Aglycone
AD46828
Formula: C24H51O3N7S6

Smiles:
CNC(S)=NCCN(CCN=C(S)NC)CCN=C(S)NC(COCCCS)(COCCCS)COCCCS
HBA: 10 RingCount: 0
HBD: 3 FractionCSP3: 0.88
AlogP: 1.92 Num_rotatable_bonds: 25
MolWt: 678.12 Num_heavy_atoms: 40
TPSA: 104.1 NumAromaticRings: 0

Sugarmoiety
SD09188

COC1OC(CO)C(OC2OC(O)C(C)C(O)C2O)C(O)C1O.COC1OC(CO)C(OC2OC(O)C(C)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O