Glycoside
...
GD131393

Name:
Ansacarbamitocin A1

Formula:
C39H51O15N4Cl

Smiles:
CN=C(O)OC1CC(=O)N(C2OC(COC(C)=O)C(OC(=N)O)C(OC)C2O)c2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C=C1C

Aglycone:
CN=C(O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C=C1C.COC(C)=O

Sugarmoiety:
COC1C(O)C(O)OC(O)C1OC(=N)O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 7 FractionCSP3: 0.55
AlogP: 3.29 Num_rotatable_bonds: 7
MolWt: 839.29 Num_heavy_atoms: 58
TPSA: 271.94 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
AD45335
Formula: C29H36O8N3Cl

Smiles:
CN=C(O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C=C1C
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.46
AlogP: 4.35 Num_rotatable_bonds: 2
MolWt: 578.06 Num_heavy_atoms: 40
TPSA: 162.43 NumAromaticRings: 1

Sugarmoiety
SD06872

COC1C(O)C(O)OC(O)C1OC(=N)O