Glycoside
...
GD154370

Name:
N-{2-[(2-{[(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)carbamothioyl]amino}ethyl)(2-ethanethioamidoethyl)amino]ethyl}ethanethioamide

Formula:
C47H88O18N10S5

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

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

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

Other Identifiers

Properties
HBA: 28 RingCount: 4
HBD: 13 FractionCSP3: 0.89
AlogP: -4.98 Num_rotatable_bonds: 30
MolWt: 1241.61 Num_heavy_atoms: 80
TPSA: 380.51 NumAromaticRings: 0

Unique Aglycone
AD61323
Formula: C21H44N10S5

Smiles:
CNC(S)=NCCN(CCN=C(S)NC)CCNC(S)=NCCN(CCN=C(C)S)CCN=C(C)S
HBA: 10 RingCount: 0
HBD: 3 FractionCSP3: 0.76
AlogP: 1.17 Num_rotatable_bonds: 18
MolWt: 596.99 Num_heavy_atoms: 36
TPSA: 104.37 NumAromaticRings: 0

Sugarmoiety
SD10229

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