Glycoside
...
GD034250

Name:
ANSACARBAMITOCIN B

Formula:
C38H49O16N4Cl

Smiles:
CNC(=O)O[C@@H]1CC(=O)N([C@@H]2O[C@H](COC(C)=O)[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.COC(C)=O

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 8 FractionCSP3: 0.59
AlogP: 1.02 Num_rotatable_bonds: 6
MolWt: 841.26 Num_heavy_atoms: 58
TPSA: 287.5 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
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
SD02212

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