Glycoside
...
GD151090

Name:
N-{2-[(2-{7-[3-(4-{[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxy}-3-hydroxy-4-methylpentyl)-4-hydroxy-3-methylcyclohexylidene]-5-hydroxy-6a,9b-dimethyl-dodecahydroindeno[5,4-b]pyran-3-yl}propan-2-yl)oxy]-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl}acetamide

Formula:
C48H82O16N2

Smiles:
COCC1OC(OC(C)(C)C(O)CCC2(C)CC(=C3CCC4C3(C)CC(O)C3OC(C(C)(C)OC5OC(COC)C(O)C(O)C5N=C(C)O)CCC34C)CCC2O)C(N=C(C)O)C(O)C1O

Aglycone:
CC(C)(O)C(O)CCC1(C)CC(=C2CCC3C2(C)CC(O)C2OC(C(C)(C)O)CCC23C)CCC1O

Sugarmoiety:
COCC1OC(O)C(N=C(C)O)C(O)C1O.COCC1OC(O)C(N=C(C)O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 9 FractionCSP3: 0.92
AlogP: 3.18 Num_rotatable_bonds: 15
MolWt: 943.18 Num_heavy_atoms: 66
TPSA: 271.4 NumAromaticRings: 0

Unique Aglycone
AD60297
Formula: C30H52O6

Smiles:
CC(C)(O)C(O)CCC1(C)CC(=C2CCC3C2(C)CC(O)C2OC(C(C)(C)O)CCC23C)CCC1O
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.25 Num_rotatable_bonds: 5
MolWt: 508.74 Num_heavy_atoms: 36
TPSA: 110.38 NumAromaticRings: 0

Sugarmoiety
SD06133

COCC1OC(O)C(N=C(C)O)C(O)C1O.COCC1OC(O)C(N=C(C)O)C(O)C1O