Glycoside
...
GD123132

Name:
33-[(4-amino-3-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-1,3,5,7,9,11,13,37-octahydroxy-17-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

Formula:
C65H98O24N2

Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1

Aglycone:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1

Sugarmoiety:
CC1OC(O)C(O)C(N)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 5
HBD: 18 FractionCSP3: 0.65
AlogP: 0.36 Num_rotatable_bonds: 14
MolWt: 1291.49 Num_heavy_atoms: 91
TPSA: 448.09 NumAromaticRings: 1

Unique Aglycone
AD49536
Formula: C53H77O16N

Smiles:
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)O)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1
HBA: 17 RingCount: 3
HBD: 12 FractionCSP3: 0.57
AlogP: 3.72 Num_rotatable_bonds: 9
MolWt: 984.19 Num_heavy_atoms: 70
TPSA: 304.23 NumAromaticRings: 1

Sugarmoiety
SD06091

CC1OC(O)C(O)C(N)C1OC1OC(CO)C(O)C(O)C1O