Glycoside
...
GD132904

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

Formula:
C87H142O49

Smiles:
CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC9OCC(O)(CO)C9O)C8O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(OC3OCC(O)(CO)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 49 RingCount: 15
HBD: 28 FractionCSP3: 0.97
AlogP: -11.8 Num_rotatable_bonds: 25
MolWt: 1972.04 Num_heavy_atoms: 136
TPSA: 768.11 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD07581

CC1OC(OC2C(O)C(C)OC(O)C2OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OC(CO)C(O)C(OC3OCC(O)(CO)C3O)C2O)C1O