Glycoside
...
GD158222

Name:
21-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-20-hydroxy-7,18-bis(hydroxymethyl)-12-[(1H-imidazol-5-yl)methyl]-7,14,18,22-tetramethyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹⁴.0⁴,¹³.0⁵,¹⁰.0¹⁷,²²]pentacos-3-ene-10-carboxylic acid

Formula:
C59H91O12N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C45CCCC3(CC=C4C3CC(C)(CO)CCC3(C(=O)O)CC5Cc3cnc[nH]3)C12C)C(N)O

Aglycone:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C45CCCC3(CC=C4C3CC(C)(CO)CCC3(C(=O)O)CC5Cc3cnc[nH]3)C12C)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 14 FractionCSP3: 0.83
AlogP: 4.48 Num_rotatable_bonds: 16
MolWt: 1090.41 Num_heavy_atoms: 78
TPSA: 325.37 NumAromaticRings: 2

Unique Aglycone
AD62478
Formula: C54H83O8N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C45CCCC3(CC=C4C3CC(C)(CO)CCC3(C(=O)O)CC5Cc3cnc[nH]3)C12C)C(N)O
HBA: 15 RingCount: 10
HBD: 12 FractionCSP3: 0.81
AlogP: 6.02 Num_rotatable_bonds: 14
MolWt: 958.3 Num_heavy_atoms: 69
TPSA: 266.45 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O