Glycoside
...
GD116304

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

Formula:
C37H55O13N

Smiles:
CC(O)=NC(CC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C)C(C)(C)O

Aglycone:
CC(O)=NC(CC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C)C(C)(C)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.76
AlogP: 0.89 Num_rotatable_bonds: 9
MolWt: 721.84 Num_heavy_atoms: 51
TPSA: 247.03 NumAromaticRings: 1

Unique Aglycone
AD46155
Formula: C31H45O8N

Smiles:
CC(O)=NC(CC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C)C(C)(C)O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.71
AlogP: 3.42 Num_rotatable_bonds: 6
MolWt: 559.7 Num_heavy_atoms: 40
TPSA: 167.88 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O