Glycoside
...
GD021576

Name:
None

Formula:
C70H76O24N14S5

Smiles:
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@H]([C@H](C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@H](COC(=O)c4c5c6c(cccc6n4OCCCOC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)COC(=O)[C@H](O[C@@H]4C[C@@](C)(O)[C@H](N(C)C)[C@H](C)O4)[C@H]2OC5)c2nc-3cs2)n1)C(N)=O

Aglycone:
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4OCCCO)COC(=O)C(OC4CC(C)(O)C(N(C)C)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O

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

Other Identifiers

Properties
HBA: 38 RingCount: 13
HBD: 14 FractionCSP3: 0.43
AlogP: 1.29 Num_rotatable_bonds: 16
MolWt: 1657.79 Num_heavy_atoms: 113
TPSA: 532.92 NumAromaticRings: 8

Unique Aglycone
AD14737
Formula: C64H66O19N14S5

Smiles:
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4OCCCO)COC(=O)C(OC4CC(C)(O)C(N(C)C)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O
HBA: 33 RingCount: 12
HBD: 11 FractionCSP3: 0.38
AlogP: 3.47 Num_rotatable_bonds: 13
MolWt: 1495.65 Num_heavy_atoms: 102
TPSA: 453.77 NumAromaticRings: 8

Sugarmoiety
SD00003

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