Glycoside
...
GD139774

Name:
4-(3-amino-2-{2-[2-(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienamido)acetamido]-3-hydroxy-2-methylbutanamido}butanamido)-N'-[24-chloro-16-(1-hydroxyethyl)-19-[methoxy({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl})methyl]-7-(methoxymethyl)-13,15-dimethyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2,2,3-trimethylpentanediamide

Formula:
C75H118O25N13Cl

Smiles:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(C)(C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)(C)C(=N)O)C(C)N)C(C)O

Aglycone:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(C)(C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)(C)C(=N)O)C(C)N)C(C)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 4
HBD: 20 FractionCSP3: 0.69
AlogP: 3.8 Num_rotatable_bonds: 29
MolWt: 1625.28 Num_heavy_atoms: 113
TPSA: 608.86 NumAromaticRings: 1

Unique Aglycone
AD56367
Formula: C69H108O21N13Cl

Smiles:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(C)(C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)(C)C(=N)O)C(C)N)C(C)O
HBA: 34 RingCount: 3
HBD: 18 FractionCSP3: 0.66
AlogP: 5.3 Num_rotatable_bonds: 27
MolWt: 1479.13 Num_heavy_atoms: 103
TPSA: 549.94 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O