Glycoside
...
GD114186

Name:
19-amino-22-(carbamoylmethyl)-47,49-dichloro-48-{[3-({4-[({4'-chloro-[1,1'-biphenyl]-4-yl}methyl)amino]-5-hydroxy-4,6-dimethyloxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8,10,12(48),14,16,29,31,33(45),34(39),35,37,46,49-pentadecaene-40-carboxylic acid

Formula:
C75H71O23N8Cl3

Smiles:
CC1OC(OC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C5N=C(O)C(CC(=N)O)N=C(O)C(N)C(O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)O)N=C3O)OC(CO)C(O)C2O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O

Aglycone:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O.N=C(O)CC1N=C(O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2N=C(O)C(N=C(O)C3N=C1O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C2O

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

Other Identifiers

Properties
HBA: 31 RingCount: 14
HBD: 20 FractionCSP3: 0.32
AlogP: 8.72 Num_rotatable_bonds: 12
MolWt: 1522.75 Num_heavy_atoms: 106
TPSA: 519.83 NumAromaticRings: 7

Unique Aglycone
AD00714
Formula: C21H24O3NCl

Smiles:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 3.34 Num_rotatable_bonds: 4
MolWt: 361.87 Num_heavy_atoms: 25
TPSA: 61.72 NumAromaticRings: 2
AD44883
Formula: C48H39O16N7Cl2

Smiles:
N=C(O)CC1N=C(O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2N=C(O)C(N=C(O)C3N=C1O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C2O
HBA: 23 RingCount: 10
HBD: 16 FractionCSP3: 0.2
AlogP: 6.86 Num_rotatable_bonds: 3
MolWt: 1016.76 Num_heavy_atoms: 71
TPSA: 410.19 NumAromaticRings: 5

Sugarmoiety
SD00003

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