Glycoside
...
GD134688

Name:
None

Formula:
C43H60O16N5S4

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C5C#CC(=CC6=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C6)C4CO)C3C2C=CCSS5)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.[NH2+]=C(NCCCO)NC1=C2C=C3C#CC4SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 14 FractionCSP3: 0.65
AlogP: -3.31 Num_rotatable_bonds: 14
MolWt: 1031.24 Num_heavy_atoms: 68
TPSA: 327.28 NumAromaticRings: 0

Unique Aglycone
AD45413
Formula: C3H9O2N

Smiles:
CNC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.48 Num_rotatable_bonds: 2
MolWt: 91.11 Num_heavy_atoms: 6
TPSA: 52.49 NumAromaticRings: 0
AD54479
Formula: C34H43O9N4S4

Smiles:
[NH2+]=C(NCCCO)NC1=C2C=C3C#CC4SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35
HBA: 13 RingCount: 6
HBD: 9 FractionCSP3: 0.56
AlogP: -0.02 Num_rotatable_bonds: 7
MolWt: 780.01 Num_heavy_atoms: 51
TPSA: 206.64 NumAromaticRings: 0

Sugarmoiety
SD04501

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