Glycoside
...
GD150511

Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9b-hydroxy-3a,6,6,9a-tetramethyl-1-[2-oxo-6-(propan-2-yl)-3,6-dihydro-2H-pyran-3-yl]-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,11aH-cyclopenta[a]phenanthrene-11a-carbaldehyde

Formula:
C42H62O15

Smiles:
CC(C)C1C=CC(C2CCC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C=CC5(C)C4(O)C=CC23C=O)C(=O)O1

Aglycone:
CC(C)C1C=CC(C2CCC3(C)C4CCC5C(C)(C)C(O)C=CC5(C)C4(O)C=CC23C=O)C(=O)O1

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.81
AlogP: 0.28 Num_rotatable_bonds: 9
MolWt: 806.94 Num_heavy_atoms: 57
TPSA: 242.13 NumAromaticRings: 0

Unique Aglycone
AD60114
Formula: C30H42O5

Smiles:
CC(C)C1C=CC(C2CCC3(C)C4CCC5C(C)(C)C(O)C=CC5(C)C4(O)C=CC23C=O)C(=O)O1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.73
AlogP: 4.63 Num_rotatable_bonds: 3
MolWt: 482.66 Num_heavy_atoms: 35
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00078

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