Glycoside
...
GD140242

Name:
9-({3-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-8-hydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13bH-cyclopenta[a]chrysene-3a-carboxylic acid

Formula:
C52H82O22

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(C)(O)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.9
AlogP: -1.3 Num_rotatable_bonds: 12
MolWt: 1059.21 Num_heavy_atoms: 74
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD56548
Formula: C29H44O4

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.73 Num_rotatable_bonds: 2
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01332

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O