Glycoside
...
GD038358

Name:
tunicamycin

Formula:
C38H62O16N4

Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C[C@@H](O)[C@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)C=CCCCCCCCCCC(C)C)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
CC(C)CCCCCCCCCC=CC(N)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 11 FractionCSP3: 0.79
AlogP: -2.48 Num_rotatable_bonds: 20
MolWt: 830.93 Num_heavy_atoms: 58
TPSA: 311.82 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD19639
Formula: C15H29ON

Smiles:
CC(C)CCCCCCCCCC=CC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 4.19 Num_rotatable_bonds: 11
MolWt: 239.4 Num_heavy_atoms: 17
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00454

CC(=O)NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O