Glycoside
...
GD150521

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

Formula:
C37H52O13

Smiles:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(OC5OC(CO)C(O)C(O)C5O)c4C)C3(C)C(=O)CC12C

Aglycone:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.68
AlogP: 1.16 Num_rotatable_bonds: 8
MolWt: 704.81 Num_heavy_atoms: 50
TPSA: 223.67 NumAromaticRings: 1

Unique Aglycone
AD58690
Formula: C31H42O8

Smiles:
CC(=O)OC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.61
AlogP: 3.68 Num_rotatable_bonds: 5
MolWt: 542.67 Num_heavy_atoms: 39
TPSA: 144.52 NumAromaticRings: 1

Sugarmoiety
SD00003

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