Glycoside
...
GD145689

Name:
1-{2-[bis({2-[({[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.2³,⁶]octadecan-5-yl]methyl}carbamothioyl)amino]ethyl})amino]ethyl}-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Formula:
C47H83O23N7S3

Smiles:
OCC1OC(NC(S)=NCCN(CCN=C(S)NCC2OC3OC4C(CO)OC(OCCCCC2C(O)C3O)C(O)C4O)CCN=C(S)NCC2OC3OC4C(CO)OC(OCCCCC2C(O)C3O)C(O)C4O)C(O)C(O)C1O

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 13
HBD: 17 FractionCSP3: 0.94
AlogP: -8.11 Num_rotatable_bonds: 17
MolWt: 1210.41 Num_heavy_atoms: 80
TPSA: 442.7 NumAromaticRings: 0

Unique Aglycone
AD52006
Formula: C41H73O18N7S3

Smiles:
NC(S)=NCCN(CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O)CCN=C(S)NCC1OC2OC3C(CO)OC(OCCCCC1C(O)C2O)C(O)C3O
HBA: 25 RingCount: 12
HBD: 14 FractionCSP3: 0.93
AlogP: -5.54 Num_rotatable_bonds: 15
MolWt: 1048.27 Num_heavy_atoms: 69
TPSA: 366.54 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O