Glycoside
...
GD155356

Name:
[9-(acetyloxy)-7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-9a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11a-yl]methyl acetate

Formula:
C44H66O17

Smiles:
CC(=O)OCC12CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CC(OC(C)=O)C43C)C1CCC2C(C)(O)C1CC(C)=C(C)C(=O)O1

Aglycone:
CC(=O)OCC12CCC3C(CC=C4CC(O)CC(OC(C)=O)C43C)C1CCC2C(C)(O)C1CC(C)=C(C)C(=O)O1

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.84
AlogP: 1.09 Num_rotatable_bonds: 10
MolWt: 866.99 Num_heavy_atoms: 61
TPSA: 257.43 NumAromaticRings: 0

Unique Aglycone
AD61632
Formula: C32H46O8

Smiles:
CC(=O)OCC12CCC3C(CC=C4CC(O)CC(OC(C)=O)C43C)C1CCC2C(C)(O)C1CC(C)=C(C)C(=O)O1
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.78
AlogP: 4.41 Num_rotatable_bonds: 5
MolWt: 558.71 Num_heavy_atoms: 40
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD01124

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O