Glycoside
...
GD115555

Name:
9-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-8-(hydroxymethyl)-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:
C47H74O17

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C12

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

Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.89
AlogP: 1.12 Num_rotatable_bonds: 10
MolWt: 911.09 Num_heavy_atoms: 64
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD45735
Formula: C30H46O4

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.98 Num_rotatable_bonds: 3
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00995

CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O