Glycoside
...
GD128903

Name:
12-({2-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-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:
C54H85O13N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C(CO)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:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C(CO)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: 9
HBD: 15 FractionCSP3: 0.81
AlogP: 1.99 Num_rotatable_bonds: 17
MolWt: 1040.31 Num_heavy_atoms: 74
TPSA: 345.6 NumAromaticRings: 2

Unique Aglycone
AD52212
Formula: C49H77O9N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C(CO)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: 8
HBD: 13 FractionCSP3: 0.8
AlogP: 3.53 Num_rotatable_bonds: 15
MolWt: 908.19 Num_heavy_atoms: 65
TPSA: 286.68 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O