Glycoside
...
GD120309

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-({[2-(N'-methylcarbamimidamido)ethyl]amino}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:
C56H92O12N8

Smiles:
CNC(=N)NCCNCC(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)C(N)O

Aglycone:
CNC(=N)NCCNCC(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)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 16 FractionCSP3: 0.86
AlogP: 2.87 Num_rotatable_bonds: 17
MolWt: 1069.4 Num_heavy_atoms: 76
TPSA: 344.6 NumAromaticRings: 1

Unique Aglycone
AD48318
Formula: C51H84O8N8

Smiles:
CNC(=N)NCCNCC(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)C(N)O
HBA: 16 RingCount: 8
HBD: 14 FractionCSP3: 0.84
AlogP: 4.4 Num_rotatable_bonds: 15
MolWt: 937.28 Num_heavy_atoms: 67
TPSA: 285.68 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O