Glycoside
...
GD145914

Name:
totopotensamide c

Formula:
C53H84O22N7ClS

Smiles:
CCC(C)C1N=C(O)C(c2cc(OS(=O)(=O)O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(OC2OC(CO)C(OC)C(O)C2O)C(C)O)C(C)O)C(C)N=C(O)CN=C1O

Aglycone:
CCC(C)C1N=C(O)C(c2cc(OS(=O)(=O)O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(O)C(C)O)C(C)O)C(C)N=C(O)CN=C1O

Sugarmoiety:
COC1C(CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 3
HBD: 15 FractionCSP3: 0.73
AlogP: 3.46 Num_rotatable_bonds: 26
MolWt: 1226.79 Num_heavy_atoms: 83
TPSA: 478.1 NumAromaticRings: 1

Unique Aglycone
AD58542
Formula: C46H72O17N7ClS

Smiles:
CCC(C)C1N=C(O)C(c2cc(OS(=O)(=O)O)c(C)c(O)c2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(O)C(C)O)C(C)O)C(C)N=C(O)CN=C1O
HBA: 24 RingCount: 2
HBD: 13 FractionCSP3: 0.69
AlogP: 4.98 Num_rotatable_bonds: 22
MolWt: 1050.62 Num_heavy_atoms: 71
TPSA: 409.95 NumAromaticRings: 1

Sugarmoiety
SD00246

COC1C(CO)OC(O)C(O)C1O