Glycoside
...
GD152337

Name:
3-(2-{[2-(carbamothioylamino)ethyl][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[10.2.2.2³,⁶]octadecan-5-yl]methyl}thiourea

Formula:
C34H63O13N7S3

Smiles:
CCCC1C(CNC(S)=NCCN(CCN=C(S)NCC2OC3OC4C(CO)OC(OCCCCC2C(O)C3O)C(O)C4O)CCNC(=N)S)OC(O)C(O)C1O

Aglycone:
CNC(S)=NCCN(CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O)CCNC(=N)S

Sugarmoiety:
CCCC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 12 FractionCSP3: 0.91
AlogP: -3.56 Num_rotatable_bonds: 16
MolWt: 874.12 Num_heavy_atoms: 57
TPSA: 295.89 NumAromaticRings: 0

Unique Aglycone
AD60670
Formula: C26H49O9N7S3

Smiles:
CNC(S)=NCCN(CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O)CCNC(=N)S
HBA: 16 RingCount: 6
HBD: 9 FractionCSP3: 0.88
AlogP: -2.79 Num_rotatable_bonds: 12
MolWt: 699.92 Num_heavy_atoms: 45
TPSA: 225.97 NumAromaticRings: 0

Sugarmoiety
SD05183

CCCC1C(O)OC(O)C(O)C1O