Glycoside
...
GD126267

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

Formula:
C40H60O17

Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC(=O)C5(C)C4CCC32C)C1

Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.85
AlogP: -1.61 Num_rotatable_bonds: 8
MolWt: 812.9 Num_heavy_atoms: 57
TPSA: 282.59 NumAromaticRings: 0

Unique Aglycone
AD00738
Formula: C28H40O7

Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.79
AlogP: 2.74 Num_rotatable_bonds: 2
MolWt: 488.62 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00078

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