Glycoside
...
GD114622

Name:
11-chloro-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10,12,14(26),16,18-pentaen-6-yl N-methylcarbamate

Formula:
C35H46O14N3Cl

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

Aglycone:
CN=C(O)OC1CC(=O)Nc2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(O)=N2)C(C)C2OC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 8 FractionCSP3: 0.62
AlogP: 0.76 Num_rotatable_bonds: 4
MolWt: 756.2 Num_heavy_atoms: 52
TPSA: 256.32 NumAromaticRings: 1

Unique Aglycone
AD45174
Formula: C29H36O9N3Cl

Smiles:
CN=C(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: 3.56 Num_rotatable_bonds: 2
MolWt: 594.06 Num_heavy_atoms: 41
TPSA: 174.96 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O