Glycoside
...
GD156213

Name:
12-[(3-{4-amino-3-[(cyclopentylamino)methyl]-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:
C61H95O12N7

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(CC6C(C(CC(CNC7CCCC7)C(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(CC(CNC7CCCC7)C(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: 19 RingCount: 11
HBD: 14 FractionCSP3: 0.84
AlogP: 5.26 Num_rotatable_bonds: 17
MolWt: 1118.47 Num_heavy_atoms: 80
TPSA: 325.37 NumAromaticRings: 2

Unique Aglycone
AD61878
Formula: C56H87O8N7

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(CC6C(C(CC(CNC7CCCC7)C(N)O)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 15 RingCount: 10
HBD: 12 FractionCSP3: 0.82
AlogP: 6.8 Num_rotatable_bonds: 15
MolWt: 986.35 Num_heavy_atoms: 71
TPSA: 266.45 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O