Glycoside
...
GD146070

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[({2-[(3-methylbutyl)amino]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:
C59H98O12N6

Smiles:
CC(C)CCNCCNCC(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:
CC(C)CCNCCNCC(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: 18 RingCount: 9
HBD: 14 FractionCSP3: 0.88
AlogP: 4.76 Num_rotatable_bonds: 20
MolWt: 1083.46 Num_heavy_atoms: 77
TPSA: 308.72 NumAromaticRings: 1

Unique Aglycone
AD58595
Formula: C54H90O8N6

Smiles:
CC(C)CCNCCNCC(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: 14 RingCount: 8
HBD: 12 FractionCSP3: 0.87
AlogP: 6.3 Num_rotatable_bonds: 18
MolWt: 951.35 Num_heavy_atoms: 68
TPSA: 249.8 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O