Glycoside
...
GD140252

Name:
6-[2-(acetyloxy)-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate

Formula:
C40H56O14

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)OC(C)=O

Aglycone:
CC(=O)OC1CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)OC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.72
AlogP: 2.02 Num_rotatable_bonds: 9
MolWt: 760.87 Num_heavy_atoms: 54
TPSA: 223.42 NumAromaticRings: 0

Unique Aglycone
AD56553
Formula: C34H46O9

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)OC(C)=O
HBA: 9 RingCount: 4
HBD: 2 FractionCSP3: 0.68
AlogP: 4.76 Num_rotatable_bonds: 6
MolWt: 598.73 Num_heavy_atoms: 43
TPSA: 144.27 NumAromaticRings: 0

Sugarmoiety
SD00003

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