Glycoside
...
GD146327

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-({[2-(methylamino)ethyl]amino}methyl)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:
C59H94O12N8

Smiles:
CNCCNCC(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)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O

Aglycone:
CNCCNCC(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)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 15 FractionCSP3: 0.83
AlogP: 3.54 Num_rotatable_bonds: 19
MolWt: 1107.44 Num_heavy_atoms: 79
TPSA: 337.4 NumAromaticRings: 2

Unique Aglycone
AD58688
Formula: C54H86O8N8

Smiles:
CNCCNCC(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)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O
HBA: 16 RingCount: 9
HBD: 13 FractionCSP3: 0.81
AlogP: 5.07 Num_rotatable_bonds: 17
MolWt: 975.33 Num_heavy_atoms: 70
TPSA: 278.48 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O