Glycoside
...
GD144917

Name:
9-[2-(aminooxy)-1-hydroxyethyl]-6-[2-(aminooxy)ethyl]-3-{[2-({3-[(2-benzyl-1-hydroxypropylidene)amino]-1,4-dihydroxy-6-methyl-8-phenylocta-5,7-dien-1-ylidene}amino)-1,3-dihydroxypropylidene]amino}-12-[1-(4-bromophenyl)ethyl]-4,7,10,13,16,17,23-heptahydroxy-25-[(2-hydroxy-1-{[2-hydroxy-1-(methyl-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]-28-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,5,8,11,14,18,24,28-octaazabicyclo[25.2.1]triaconta-4,7,10,13,17,23-hexaene-19-carboxylic acid

Formula:
C78H113O27N16Br

Smiles:
CN=C(O)C(CO)N=C(O)C(N=C(O)C1CC2CN(CC(N=C(O)C(CO)N=C(O)CC(N=C(O)C(C)Cc3ccccc3)C(O)C=C(C)C=Cc3ccccc3)C(O)=NC(CCON)C(O)=NC(C(O)CON)C(O)=NC(C(C)c3ccc(Br)cc3)C(O)=NCC(O)C(O)=NC(C(=O)O)CCCC(O)=N1)CN2C1OC(CO)C(O)C(O)C1O)C(C)O

Aglycone:
CN=C(O)C(CO)N=C(O)C(N=C(O)C1CC2CN(CN2)CC(N=C(O)C(CO)N=C(O)CC(N=C(O)C(C)Cc2ccccc2)C(O)C=C(C)C=Cc2ccccc2)C(O)=NC(CCON)C(O)=NC(C(O)CON)C(O)=NC(C(C)c2ccc(Br)cc2)C(O)=NCC(O)C(O)=NC(C(=O)O)CCCC(O)=N1)C(C)O

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

Other Identifiers

Properties
HBA: 43 RingCount: 6
HBD: 27 FractionCSP3: 0.55
AlogP: 1.3 Num_rotatable_bonds: 32
MolWt: 1786.75 Num_heavy_atoms: 122
TPSA: 716.89 NumAromaticRings: 3

Unique Aglycone
AD58197
Formula: C72H103O22N16Br

Smiles:
CN=C(O)C(CO)N=C(O)C(N=C(O)C1CC2CN(CN2)CC(N=C(O)C(CO)N=C(O)CC(N=C(O)C(C)Cc2ccccc2)C(O)C=C(C)C=Cc2ccccc2)C(O)=NC(CCON)C(O)=NC(C(O)CON)C(O)=NC(C(C)c2ccc(Br)cc2)C(O)=NCC(O)C(O)=NC(C(=O)O)CCCC(O)=N1)C(C)O
HBA: 38 RingCount: 5
HBD: 24 FractionCSP3: 0.51
AlogP: 3.78 Num_rotatable_bonds: 30
MolWt: 1624.61 Num_heavy_atoms: 111
TPSA: 635.53 NumAromaticRings: 3

Sugarmoiety
SD00003

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