Glycoside
...
GD020990

Name:
ANSACARBAMITOCIN D

Formula:
C36H47O15N4Cl

Smiles:
CNC(=O)O[C@@H]1CC(=O)N([C@@H]2O[C@H](CO)[C@H](OC(N)=O)[C@H](O)[C@H]2O)c2cc(cc(O)c2Cl)CC(C)=CC=C[C@H](OC)[C@]2(O)C[C@H](OC(=O)N2)[C@H](C)[C@@H]2O[C@@]21C

Aglycone:
CNC(=O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C

Sugarmoiety:
NC(=O)OC1C(CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.6
AlogP: 0.45 Num_rotatable_bonds: 5
MolWt: 799.23 Num_heavy_atoms: 55
TPSA: 281.43 NumAromaticRings: 1

Unique Aglycone
AD04330
Formula: C29H36O9N3Cl

Smiles:
CNC(=O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C
HBA: 12 RingCount: 4
HBD: 5 FractionCSP3: 0.54
AlogP: 3.15 Num_rotatable_bonds: 2
MolWt: 594.06 Num_heavy_atoms: 41
TPSA: 167.98 NumAromaticRings: 1

Sugarmoiety
SD02377

NC(=O)OC1C(CO)OC(O)C(O)C1O