Glycoside
...
GD134877

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-(acetyloxy)-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxyoxan-2-yl]oxy}-1-hydroxy-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:
C54H86O23

Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(O)C(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)OCC(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1O

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.93
AlogP: -1.22 Num_rotatable_bonds: 11
MolWt: 1103.26 Num_heavy_atoms: 77
TPSA: 359.97 NumAromaticRings: 0

Unique Aglycone
AD01792
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07852

CC(=O)OC1C(O)OCC(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O