Glycoside
...
GD120331

Name:
12-({3-[4-amino-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-9-(1,2-dihydroxyethyl)-11-hydroxy-2-(hydroxymethyl)-6-[(1H-imidazol-5-yl)methyl]-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C56H86O12N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 13 FractionCSP3: 0.82
AlogP: 4.54 Num_rotatable_bonds: 15
MolWt: 1035.33 Num_heavy_atoms: 74
TPSA: 313.34 NumAromaticRings: 2

Unique Aglycone
AD48329
Formula: C51H78O8N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1
HBA: 14 RingCount: 9
HBD: 11 FractionCSP3: 0.8
AlogP: 6.08 Num_rotatable_bonds: 13
MolWt: 903.22 Num_heavy_atoms: 65
TPSA: 254.42 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O