Glycoside
...
GD146644

Name:
12-({2-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-yl}methyl)-11-hydroxy-2,5,9-tris(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:
C53H82O14N6

Smiles:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)C(CC5C(CO)C(O)=NC5C(CCC(N)O)c5cnc[nH]5)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C1(C)C(Cc1cnc[nH]1)C2CO

Aglycone:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)C(CC5C(CO)C(O)=NC5C(CCC(N)O)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC3(C)C1(C)C(Cc1cnc[nH]1)C2CO

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 15 FractionCSP3: 0.81
AlogP: 1.77 Num_rotatable_bonds: 16
MolWt: 1027.27 Num_heavy_atoms: 73
TPSA: 353.8 NumAromaticRings: 2

Unique Aglycone
AD58781
Formula: C48H74O10N6

Smiles:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)C(CC5C(CO)C(O)=NC5C(CCC(N)O)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC3(C)C1(C)C(Cc1cnc[nH]1)C2CO
HBA: 16 RingCount: 8
HBD: 13 FractionCSP3: 0.79
AlogP: 3.3 Num_rotatable_bonds: 14
MolWt: 895.15 Num_heavy_atoms: 64
TPSA: 294.88 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O