Glycoside
...
GD116703

Name:
3-[(5-{[3-(acetyloxy)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl 5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]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:
C59H94O28

Smiles:
CC(=O)OC1C(OC2C(C)OC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5O)OCC(O)C3O)C(O)C2O)OCC(O)C1OC1OCC(O)(CO)C1O

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

Sugarmoiety:
CC(=O)OC1C(OC2C(C)OC(OC3C(O)OCC(O)C3O)C(O)C2O)OCC(O)C1OC1OCC(O)(CO)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 15 FractionCSP3: 0.93
AlogP: -3.78 Num_rotatable_bonds: 14
MolWt: 1251.37 Num_heavy_atoms: 87
TPSA: 439.12 NumAromaticRings: 0

Unique Aglycone
AD10010
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD04908

CC(=O)OC1C(OC2C(C)OC(OC3C(O)OCC(O)C3O)C(O)C2O)OCC(O)C1OC1OCC(O)(CO)C1O.OCC1OC(O)C(O)C(O)C1O