Glycoside
...
GD116234

Name:
N‐(4‐O‐Carbamoyl‐Β‐D‐Glucopyranosyl)‐N‐Demethylansamitocin P

Formula:
C37H48O15N3Cl

Smiles:
COc1cc2cc(c1Cl)N(C1OC(CO)C(OC(=N)O)C(O)C1O)C(=O)CC(OC(C)=O)C1(C)OC1C(C)C1CC(O)(N=C(O)O1)C(OC)C=CC=C(C)C2

Aglycone:
COc1cc2cc(c1Cl)NC(=O)CC(OC(C)=O)C1(C)OC1C(C)C1CC(O)(N=C(O)O1)C(OC)C=CC=C(C)C2

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.61
AlogP: 1.58 Num_rotatable_bonds: 6
MolWt: 798.24 Num_heavy_atoms: 55
TPSA: 262.88 NumAromaticRings: 1

Unique Aglycone
AD46121
Formula: C30H37O9N2Cl

Smiles:
COc1cc2cc(c1Cl)NC(=O)CC(OC(C)=O)C1(C)OC1C(C)C1CC(O)(N=C(O)O1)C(OC)C=CC=C(C)C2
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.55
AlogP: 3.87 Num_rotatable_bonds: 3
MolWt: 593.07 Num_heavy_atoms: 41
TPSA: 148.44 NumAromaticRings: 1

Sugarmoiety
SD04813

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