Glycoside
...
GD127352

Name:
18-{3-[4-amino-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}-22-(1,2-dihydroxyethyl)-20-hydroxy-7-(hydroxymethyl)-7,22,26,27-tetramethyl-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[17.7.1.0¹,¹⁶.0⁴,¹³.0⁵,¹⁰.0¹³,²⁶.0²³,²⁷]heptacosa-3,16-diene-10-carboxylic acid

Formula:
C55H82O12N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C6C(O)C(OC7OCC(O)C(O)C7O)C(C)(C(O)CO)C7CCC3(C)C5(CC=C4C2C1)C67C

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C6C(O)C(O)C(C)(C(O)CO)C7CCC3(C)C5(CC=C4C2C1)C67C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 11
HBD: 12 FractionCSP3: 0.84
AlogP: 4.66 Num_rotatable_bonds: 12
MolWt: 991.28 Num_heavy_atoms: 71
TPSA: 284.66 NumAromaticRings: 1

Unique Aglycone
AD51573
Formula: C50H74O8N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C6C(O)C(O)C(C)(C(O)CO)C7CCC3(C)C5(CC=C4C2C1)C67C
HBA: 12 RingCount: 10
HBD: 10 FractionCSP3: 0.82
AlogP: 6.2 Num_rotatable_bonds: 10
MolWt: 859.16 Num_heavy_atoms: 62
TPSA: 225.74 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O