Glycoside
...
GD010638

Name:
None

Formula:
C79H96O29N14S5

Smiles:
COC(C)=C1NC(=O)[C@H]([C@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)N[C@H](C)C(=O)NCCOCCOCCOCCOCCOCCOC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2

Aglycone:
COC(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(C)C(=O)NCCOCCOCCOCCOCCOCCO)cs3)nc2-c2csc(n2)C2COC(=O)c3c4c5c(cccc5n3O)COC(=O)C(OC3CC(C)(O)C(N(C)C)C(C)O3)C(OC4)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2

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

Other Identifiers

Properties
HBA: 43 RingCount: 13
HBD: 14 FractionCSP3: 0.52
AlogP: 1.3 Num_rotatable_bonds: 29
MolWt: 1866.04 Num_heavy_atoms: 127
TPSA: 576.08 NumAromaticRings: 8

Unique Aglycone
AD08192
Formula: C73H86O24N14S5

Smiles:
COC(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(C)C(=O)NCCOCCOCCOCCOCCOCCO)cs3)nc2-c2csc(n2)C2COC(=O)c3c4c5c(cccc5n3O)COC(=O)C(OC3CC(C)(O)C(N(C)C)C(C)O3)C(OC4)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
HBA: 38 RingCount: 12
HBD: 11 FractionCSP3: 0.48
AlogP: 3.47 Num_rotatable_bonds: 26
MolWt: 1703.9 Num_heavy_atoms: 116
TPSA: 496.93 NumAromaticRings: 8

Sugarmoiety
SD00003

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