Glycoside
...
GD155774

Name:
N‐(6‐O‐Carbamoyl‐Β‐D‐Glucopyranosyl)‐N‐Demethylansamitocin P

Formula:
C38H50O15N3Cl

Smiles:
CCC(=O)OC1CC(=O)N(C2OC(COC(=N)O)C(O)C(O)C2O)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C

Aglycone:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C.COC(=N)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 7 FractionCSP3: 0.62
AlogP: 1.97 Num_rotatable_bonds: 7
MolWt: 812.27 Num_heavy_atoms: 56
TPSA: 262.88 NumAromaticRings: 1

Unique Aglycone
AD46723
Formula: C31H39O9N2Cl

Smiles:
CCC(=O)OC1CC(=O)Nc2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.57
AlogP: 4.26 Num_rotatable_bonds: 4
MolWt: 607.1 Num_heavy_atoms: 42
TPSA: 148.44 NumAromaticRings: 1
AD49182
Formula: C2H5O2N

Smiles:
COC(=N)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: 0.13 Num_rotatable_bonds: 0
MolWt: 75.07 Num_heavy_atoms: 5
TPSA: 53.31 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O