Glycoside
...
GD143847

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,6a-dihydroxy-10-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-1,2,6b,9,9,12a-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:
C52H84O23

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(CO)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45O)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1CCC2(C(=O)O)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -2.67 Num_rotatable_bonds: 10
MolWt: 1077.22 Num_heavy_atoms: 75
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD53181
Formula: C29H46O5

Smiles:
CC1CCC2(C(=O)O)CCC3(O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 4.93 Num_rotatable_bonds: 1
MolWt: 474.68 Num_heavy_atoms: 34
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD01699

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O