Glycoside
...
GD001868

Name:
None

Formula:
C68H76O23N14S5

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)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)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)N(C)C)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:
OCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 14 FractionCSP3: 0.44
AlogP: 1.18 Num_rotatable_bonds: 15
MolWt: 1617.77 Num_heavy_atoms: 110
TPSA: 522.91 NumAromaticRings: 8

Unique Aglycone
AD01828
Formula: C63H66O18N14S5

Smiles:
COC(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(C)C(=O)N(C)C)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: 32 RingCount: 12
HBD: 9 FractionCSP3: 0.4
AlogP: 4.37 Num_rotatable_bonds: 9
MolWt: 1467.64 Num_heavy_atoms: 100
TPSA: 421.76 NumAromaticRings: 8

Sugarmoiety
SD00084

OCC(O)C(O)C(O)C(O)O