Glycoside
...
GD135533

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

Formula:
C61H96O25N2

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(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)C4(C)C)C3=CCC21C

Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C

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: 27 RingCount: 9
HBD: 14 FractionCSP3: 0.85
AlogP: -0.59 Num_rotatable_bonds: 19
MolWt: 1257.43 Num_heavy_atoms: 88
TPSA: 417.31 NumAromaticRings: 0

Unique Aglycone
AD04744
Formula: C29H44O2

Smiles:
CC(C)=CC(=O)CC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC21C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.76
AlogP: 7.04 Num_rotatable_bonds: 4
MolWt: 424.67 Num_heavy_atoms: 31
TPSA: 37.3 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