Glycoside
...
GD144304

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

Formula:
C73H118O42

Smiles:
CC(=O)OC1(OCC2OC(O)(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OCC(O)C(OC8(OC9(O)C(O)C(O)OC(CO)C9O)OC(CO)C(O)C(O)C8O)C7OC7(O)OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C(O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
CC(=O)OC1(OCC2OC(O)(O)C(O)C(O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)(OC2C(O)OCC(O)C2OC2(OC3(O)C(O)C(O)OC(CO)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 12
HBD: 25 FractionCSP3: 0.95
AlogP: -9.73 Num_rotatable_bonds: 20
MolWt: 1667.71 Num_heavy_atoms: 115
TPSA: 678.34 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD09079

CC(=O)OC1(OCC2OC(O)(O)C(O)C(O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)(OC2C(O)OCC(O)C2OC2(OC3(O)C(O)C(O)OC(CO)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O