Glycoside
...
GD127027

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-12a-cyclohexyl-11-hydroxy-2,9-bis(hydroxymethyl)-6-[(1H-imidazol-5-yl)methyl]-2,6a,6b,9-tetramethyl-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:
C62H97O12N7

Smiles:
CNCC(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)C12C1CCCCC1)C(N)O

Aglycone:
CNCC(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)C12C1CCCCC1)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 14 FractionCSP3: 0.84
AlogP: 5.51 Num_rotatable_bonds: 17
MolWt: 1132.49 Num_heavy_atoms: 81
TPSA: 325.37 NumAromaticRings: 2

Unique Aglycone
AD51421
Formula: C57H89O8N7

Smiles:
CNCC(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)C12C1CCCCC1)C(N)O
HBA: 15 RingCount: 10
HBD: 12 FractionCSP3: 0.82
AlogP: 7.04 Num_rotatable_bonds: 15
MolWt: 1000.38 Num_heavy_atoms: 72
TPSA: 266.45 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O