Glycoside
...
GD114328

Name:
None

Formula:
C39H58O14N5S4

Smiles:
CNCOC1C(OC2OC=C3C(=O)OC4CCCC4CSSC4CSSCC=CC2C3C=CC2=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C2)C4CO)OC(CO)C(O)C1(O)O

Aglycone:
[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3CCCC3OC4=O)C(CO)N(C=C1C(=O)O)C2

Sugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 12 FractionCSP3: 0.67
AlogP: -1.64 Num_rotatable_bonds: 12
MolWt: 949.18 Num_heavy_atoms: 62
TPSA: 286.82 NumAromaticRings: 0

Unique Aglycone
AD44991
Formula: C31H43O8N4S4

Smiles:
[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3CCCC3OC4=O)C(CO)N(C=C1C(=O)O)C2
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.58
AlogP: 1.01 Num_rotatable_bonds: 6
MolWt: 727.97 Num_heavy_atoms: 47
TPSA: 186.41 NumAromaticRings: 0

Sugarmoiety
SD04325

CNCOC1C(O)OC(CO)C(O)C1(O)O