Glycoside
...
GD127948

Name:
2-(25-{2,3-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentadecyl}-2,5,8,11,14,17,20,23-octahydroxy-18-[hydroxy(4-hydroxyphenyl)methyl]-3,15-bis[(C-hydroxycarbonimidoyl)methyl]-6,21-bis(hydroxymethyl)-1,4,7,10,13,16,19,22-octaazacyclopentacosa-1,4,7,10,13,16,19,22-octaen-9-yl)ethanimidic acid

Formula:
C52H83O22N11

Smiles:
CCCCCCCCCCCC(OC1OCC(O)C(O)C1O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(CC(=N)O)C(O)=N1

Aglycone:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(CC(=N)O)C(O)=N1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 3
HBD: 23 FractionCSP3: 0.67
AlogP: 1.68 Num_rotatable_bonds: 26
MolWt: 1214.29 Num_heavy_atoms: 85
TPSA: 593.49 NumAromaticRings: 1

Unique Aglycone
AD51830
Formula: C47H75O18N11

Smiles:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(CC(=N)O)C(O)=N1
HBA: 29 RingCount: 2
HBD: 21 FractionCSP3: 0.64
AlogP: 3.22 Num_rotatable_bonds: 24
MolWt: 1082.18 Num_heavy_atoms: 76
TPSA: 534.57 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O