Glycoside
...
GD152556

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

Formula:
C40H58O12

Smiles:
CC(=O)OC1CC(C)OC(OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C1OC(C)=O

Aglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
CC(=O)OC1CC(C)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.78
AlogP: 3.95 Num_rotatable_bonds: 8
MolWt: 730.89 Num_heavy_atoms: 52
TPSA: 182.96 NumAromaticRings: 0

Unique Aglycone
AD04524
Formula: C30H44O7

Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.77
AlogP: 2.93 Num_rotatable_bonds: 4
MolWt: 516.68 Num_heavy_atoms: 37
TPSA: 132.13 NumAromaticRings: 0

Sugarmoiety
SD05694

CC(=O)OC1CC(C)OC(O)C1OC(C)=O