Glycoside
...
GD148276

Name:
10-({2-[4-amino-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-5-oxopyrrolidin-3-yl}methyl)-9-hydroxy-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹⁵.0³,¹².0⁶,¹¹.0²⁰,²⁵]pentacos-14-ene-25-carboxylic acid

Formula:
C52H83O11N5

Smiles:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)CC1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C

Aglycone:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)CC1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 12 FractionCSP3: 0.87
AlogP: 3.9 Num_rotatable_bonds: 14
MolWt: 954.26 Num_heavy_atoms: 68
TPSA: 276.46 NumAromaticRings: 1

Unique Aglycone
AD59344
Formula: C47H75O7N5

Smiles:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)CC1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C43C)C12C
HBA: 12 RingCount: 8
HBD: 10 FractionCSP3: 0.85
AlogP: 5.44 Num_rotatable_bonds: 12
MolWt: 822.14 Num_heavy_atoms: 59
TPSA: 217.54 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O