Glycoside
...
GD012956

Name:
ARCHAZOLID E

Formula:
C48H72O12N2S

Smiles:
CNC(=O)O[C@H](CC(C)C)c1nc([C@@H]2OC(=O)C(C)=CCC(C)=C[C@H](O)[C@H](C)C=C(C)C=C(C)C=C[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)C(C)=CC=C[C@H]2C)cs1

Aglycone:
CNC(=O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC2C)cs1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.6
AlogP: 6.89 Num_rotatable_bonds: 9
MolWt: 901.17 Num_heavy_atoms: 63
TPSA: 206.36 NumAromaticRings: 1

Unique Aglycone
AD09724
Formula: C42H62O7N2S

Smiles:
CNC(=O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC2C)cs1
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.55
AlogP: 9.06 Num_rotatable_bonds: 6
MolWt: 739.03 Num_heavy_atoms: 52
TPSA: 127.21 NumAromaticRings: 1

Sugarmoiety
SD00003

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