Glycoside
...
GD117271

Name:
methyl 6-{[8,9-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(3-phenylprop-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:
C66H96O27

Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)C=Cc6ccccc6)C(OC(C)=O)C5(CO)C(OC(C)=O)CC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Aglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)C(OC(=O)C=Cc3ccccc3)C(OC(C)=O)C12CO

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 11 FractionCSP3: 0.79
AlogP: 0.22 Num_rotatable_bonds: 16
MolWt: 1321.47 Num_heavy_atoms: 93
TPSA: 401.57 NumAromaticRings: 1

Unique Aglycone
AD46733
Formula: C43H60O8

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)C(OC(=O)C=Cc3ccccc3)C(OC(C)=O)C12CO
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.7
AlogP: 7.46 Num_rotatable_bonds: 6
MolWt: 704.95 Num_heavy_atoms: 51
TPSA: 119.36 NumAromaticRings: 1

Sugarmoiety
SD05021

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O