Glycoside
...
GD129778

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)-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:
C56H88O12N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(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)CCC3(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: 16 RingCount: 10
HBD: 12 FractionCSP3: 0.88
AlogP: 5.87 Num_rotatable_bonds: 13
MolWt: 1009.34 Num_heavy_atoms: 72
TPSA: 284.66 NumAromaticRings: 1

Unique Aglycone
AD52577
Formula: C51H80O8N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(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: 12 RingCount: 9
HBD: 10 FractionCSP3: 0.86
AlogP: 7.41 Num_rotatable_bonds: 11
MolWt: 877.22 Num_heavy_atoms: 63
TPSA: 225.74 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O