Glycoside
...
GD019216

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C53H86O22

Smiles:
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]12

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

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -1.54 Num_rotatable_bonds: 12
MolWt: 1075.25 Num_heavy_atoms: 75
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD01049
Formula: C30H48O4

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: 0.9
AlogP: 6.06 Num_rotatable_bonds: 3
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00364

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O