Glycoside
...
GD128179

Name:
3-{[3-(acetyloxy)-5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C60H96O28

Smiles:
CC(=O)OC1C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7CC(CO)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(CO)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(OC2C(O)OCC(O)C2O)OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 16 FractionCSP3: 0.93
AlogP: -4.14 Num_rotatable_bonds: 15
MolWt: 1265.4 Num_heavy_atoms: 88
TPSA: 450.12 NumAromaticRings: 0

Unique Aglycone
AD47217
Formula: C37H60O11

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6CC(CO)C(O)C(O)C6O)C(CO)(CO)C5CCC43C)C2C1
HBA: 11 RingCount: 6
HBD: 9 FractionCSP3: 0.92
AlogP: 1.61 Num_rotatable_bonds: 6
MolWt: 680.88 Num_heavy_atoms: 48
TPSA: 208.37 NumAromaticRings: 0

Sugarmoiety
SD06894

CC(=O)OC1C(OC2C(O)OCC(O)C2O)OC(C)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C1O