Glycoside
...
GD118475

Name:
21-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-20-hydroxy-7,18-bis(hydroxymethyl)-7,14,18,22-tetramethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]pentacos-3-ene-10-carboxylic acid

Formula:
C53H82O12N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45C

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(O)C(C)(CO)C1CCC45C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.87
AlogP: 4.84 Num_rotatable_bonds: 12
MolWt: 967.25 Num_heavy_atoms: 69
TPSA: 284.66 NumAromaticRings: 1

Unique Aglycone
AD47377
Formula: C48H74O8N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C23CCCC3)C(O)C(O)C(C)(CO)C1CCC45C
HBA: 12 RingCount: 9
HBD: 10 FractionCSP3: 0.85
AlogP: 6.38 Num_rotatable_bonds: 10
MolWt: 835.14 Num_heavy_atoms: 60
TPSA: 225.74 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O