Glycoside
...
GD144816

Name:
N-{2-[(6-{[5a,11-dihydroxy-6,6,9a,11a-tetramethyl-1-(6-methyl-4-oxohept-5-en-2-yl)-1H,2H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-[(6-{[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3-acetamido-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}acetamide

Formula:
C61H98O27N2

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4(O)C(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)C21C

Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4(O)C(C)(C)C(O)CCC4(C)C3CC(O)C21C

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: 29 RingCount: 9
HBD: 16 FractionCSP3: 0.89
AlogP: -2.28 Num_rotatable_bonds: 19
MolWt: 1291.44 Num_heavy_atoms: 90
TPSA: 457.77 NumAromaticRings: 0

Unique Aglycone
AD58168
Formula: C29H46O4

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4(O)C(C)(C)C(O)CCC4(C)C3CC(O)C21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.83
AlogP: 5.35 Num_rotatable_bonds: 4
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 77.76 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