Glycoside
...
GD121334

Name:
18-{3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[(methylamino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}-20-hydroxy-7,22-bis(hydroxymethyl)-12-[(1H-imidazol-5-yl)methyl]-7,22,26,27-tetramethyl-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[17.7.1.0¹,¹⁶.0⁴,¹³.0⁵,¹⁰.0¹³,²⁶.0²³,²⁷]heptacosa-3,16-diene-10-carboxylic acid

Formula:
C60H89O12N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1C1C=C2CCC34C(=CCC25C2(C)C1C(O)C(OC1OCC(O)C(O)C1O)C(C)(CO)C2CCC35C)C1CC(C)(CO)CCC1(C(=O)O)CC4Cc1cnc[nH]1)C(N)O

Aglycone:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1C1C=C2CCC34C(=CCC25C2(C)C1C(O)C(O)C(C)(CO)C2CCC35C)C1CC(C)(CO)CCC1(C(=O)O)CC4Cc1cnc[nH]1)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 12
HBD: 14 FractionCSP3: 0.8
AlogP: 4.26 Num_rotatable_bonds: 15
MolWt: 1100.41 Num_heavy_atoms: 79
TPSA: 325.37 NumAromaticRings: 2

Unique Aglycone
AD48831
Formula: C55H81O8N7

Smiles:
CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1C1C=C2CCC34C(=CCC25C2(C)C1C(O)C(O)C(C)(CO)C2CCC35C)C1CC(C)(CO)CCC1(C(=O)O)CC4Cc1cnc[nH]1)C(N)O
HBA: 15 RingCount: 11
HBD: 12 FractionCSP3: 0.78
AlogP: 5.79 Num_rotatable_bonds: 13
MolWt: 968.29 Num_heavy_atoms: 70
TPSA: 266.45 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O