Glycoside
...
GD027092

Name:
None

Formula:
C52H78O22N6S2

Smiles:
CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 4
HBD: 11 FractionCSP3: 0.63
AlogP: 0.97 Num_rotatable_bonds: 29
MolWt: 1203.35 Num_heavy_atoms: 82
TPSA: 420.9 NumAromaticRings: 2

Unique Aglycone
AD17833
Formula: C46H68O18N6S2

Smiles:
CCCCCCCCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O
HBA: 24 RingCount: 3
HBD: 9 FractionCSP3: 0.59
AlogP: 2.47 Num_rotatable_bonds: 27
MolWt: 1057.21 Num_heavy_atoms: 72
TPSA: 361.98 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O