Glycoside
...
GD009161

Name:
None

Formula:
C67H72O23N14S5

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@H]4[C@H](O)[C@@H](O)[C@@H](CO)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(N)=O)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: 37 RingCount: 13
HBD: 14 FractionCSP3: 0.43
AlogP: 1.2 Num_rotatable_bonds: 11
MolWt: 1601.72 Num_heavy_atoms: 109
TPSA: 520.7 NumAromaticRings: 8

Unique Aglycone
AD07213
Formula: C61H62O18N14S5

Smiles:
COC(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(C)C(N)=O)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: 11 FractionCSP3: 0.38
AlogP: 3.77 Num_rotatable_bonds: 9
MolWt: 1439.58 Num_heavy_atoms: 98
TPSA: 444.54 NumAromaticRings: 8

Sugarmoiety
SD00003

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