Glycoside
...
GD156383

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-11-hydroxy-2,9-bis(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:
C55H84O12N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)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(C)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: 10
HBD: 13 FractionCSP3: 0.82
AlogP: 4.5 Num_rotatable_bonds: 14
MolWt: 1021.31 Num_heavy_atoms: 73
TPSA: 313.34 NumAromaticRings: 2

Unique Aglycone
AD61929
Formula: C50H76O8N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)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: 9
HBD: 11 FractionCSP3: 0.8
AlogP: 6.04 Num_rotatable_bonds: 12
MolWt: 889.19 Num_heavy_atoms: 64
TPSA: 254.42 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O