Glycoside
...
GD126092

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylate

Formula:
C54H86O22

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4=C4C=CC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -1.09 Num_rotatable_bonds: 11
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD51002
Formula: C30H46O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 7.15 Num_rotatable_bonds: 1
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD02165

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O