Glycoside
...
GD153453

Name:
12-({3-[4-amino-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-11-hydroxy-2,9-bis(hydroxymethyl)-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:
C53H85O11N5

Smiles:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CCC43C)C12C

Aglycone:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CCC43C)C12C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 12 FractionCSP3: 0.87
AlogP: 4.44 Num_rotatable_bonds: 14
MolWt: 968.29 Num_heavy_atoms: 69
TPSA: 276.46 NumAromaticRings: 1

Unique Aglycone
AD61029
Formula: C48H77O7N5

Smiles:
CNCC(CN)CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CCC43C)C12C
HBA: 12 RingCount: 8
HBD: 10 FractionCSP3: 0.85
AlogP: 5.97 Num_rotatable_bonds: 12
MolWt: 836.17 Num_heavy_atoms: 60
TPSA: 217.54 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O