Glycoside
...
GD025526

Name:
ANSACARBAMITOCIN A1

Formula:
C39H51O15N4Cl

Smiles:
CNC(=O)O[C@@H]1CC(=O)N([C@@H]2O[C@H](COC(C)=O)[C@H](OC(N)=O)[C@H](OC)[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=C1C

Aglycone:
CNC(=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: 2.46 Num_rotatable_bonds: 7
MolWt: 839.29 Num_heavy_atoms: 58
TPSA: 263.97 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
AD13092
Formula: C29H36O8N3Cl

Smiles:
CNC(=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: 3.94 Num_rotatable_bonds: 2
MolWt: 578.06 Num_heavy_atoms: 40
TPSA: 155.45 NumAromaticRings: 1

Sugarmoiety
SD01272

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