Glycoside
...
GD138861

Name:
None

Formula:
C52H73O16N8S4

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=C6C#CC47CC4CC8(CCC(C8)C2(C=CCSS7)C63)NC(=N)N4)C5)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.N=C1NC2CC3(CCC(C3)C34C=CCSSC5(C#CC6=CC7=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C7)C(CO)C5SSCC5C(CO)CCC5OC(=O)C(=COC3O)C64)C2)N1

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

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 17 FractionCSP3: 0.69
AlogP: -2.74 Num_rotatable_bonds: 14
MolWt: 1194.46 Num_heavy_atoms: 80
TPSA: 375.19 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
AD56026
Formula: C43H56O9N7S4

Smiles:
N=C1NC2CC3(CCC(C3)C34C=CCSSC5(C#CC6=CC7=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C7)C(CO)C5SSCC5C(CO)CCC5OC(=O)C(=COC3O)C64)C2)N1
HBA: 16 RingCount: 9
HBD: 12 FractionCSP3: 0.63
AlogP: 0.55 Num_rotatable_bonds: 7
MolWt: 943.23 Num_heavy_atoms: 63
TPSA: 254.55 NumAromaticRings: 0

Sugarmoiety
SD04501

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