Glycoside
...
GD144395

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-12a-cyclohexyl-11-hydroxy-2,9-bis(hydroxymethyl)-6-[(1H-imidazol-5-yl)methyl]-2,6a,6b,9-tetramethyl-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:
C60H92O12N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C6CCCCC6)C(CC6C(C(CCC(N)O)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C6CCCCC6)C(CC6C(C(CCC(N)O)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 11
HBD: 13 FractionCSP3: 0.83
AlogP: 6.06 Num_rotatable_bonds: 15
MolWt: 1089.43 Num_heavy_atoms: 78
TPSA: 313.34 NumAromaticRings: 2

Unique Aglycone
AD58032
Formula: C55H84O8N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C6CCCCC6)C(CC6C(C(CCC(N)O)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 14 RingCount: 10
HBD: 11 FractionCSP3: 0.82
AlogP: 7.6 Num_rotatable_bonds: 13
MolWt: 957.31 Num_heavy_atoms: 69
TPSA: 254.42 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O