Glycoside
...
GD130067

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

Formula:
C46H72O20

Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(OC6OC(COC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1

Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.89
AlogP: -2.37 Num_rotatable_bonds: 12
MolWt: 945.06 Num_heavy_atoms: 66
TPSA: 324.44 NumAromaticRings: 0

Unique Aglycone
AD48665
Formula: C28H42O5

Smiles:
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.82
AlogP: 4.16 Num_rotatable_bonds: 3
MolWt: 458.64 Num_heavy_atoms: 33
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01462

OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O