Glycoside
...
GD154407

Name:
None

Formula:
C46H67O16N8S4

Smiles:
CNC(CO)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=N)NCCCO)=C(C=C6C#CC4(CCNC(N)=[NH2+])SSCC=CC2C63)C5)OC(CO)C(O)C1(O)O

Aglycone:
CNC(O)CO.N=C(NCCCO)NC1=C2C=C3C#CC4(CCNC(N)=[NH2+])SSCC=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: 24 RingCount: 7
HBD: 18 FractionCSP3: 0.65
AlogP: -4.07 Num_rotatable_bonds: 17
MolWt: 1116.35 Num_heavy_atoms: 74
TPSA: 389.18 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
AD54462
Formula: C37H50O9N7S4

Smiles:
N=C(NCCCO)NC1=C2C=C3C#CC4(CCNC(N)=[NH2+])SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35
HBA: 16 RingCount: 6
HBD: 13 FractionCSP3: 0.57
AlogP: -0.77 Num_rotatable_bonds: 10
MolWt: 865.11 Num_heavy_atoms: 57
TPSA: 268.54 NumAromaticRings: 0

Sugarmoiety
SD04501

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