Glycoside
...
GD132575

Name:
N-(6-{[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-2-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-2-{[11-hydroxy-3b,6,6,9a,11a-pentamethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl)acetamide

Formula:
C62H102O26N2

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3(C)CCC4C(C)(C)C(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5N=C(C)O)CCC4(C)C3CC(O)C12C

Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 15 FractionCSP3: 0.92
AlogP: -1.07 Num_rotatable_bonds: 19
MolWt: 1291.49 Num_heavy_atoms: 90
TPSA: 437.54 NumAromaticRings: 0

Unique Aglycone
AD53678
Formula: C30H50O3

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 6.56 Num_rotatable_bonds: 4
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04739

CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O