Glycoside
...
GD158070

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

Formula:
C60H96O29

Smiles:
CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(OC(=O)C4CC(C)(C)CC5=C6C=CC7C8(C)CCC(OC9(OC%10C(O)OC(CO)C(O)C%10O)OC(C)C(O)C(O)C9O)C(C)(C)C8CCC7(C)C6(C)CCC54)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2C(C(=O)O)C1

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

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 18 FractionCSP3: 0.92
AlogP: -4.42 Num_rotatable_bonds: 13
MolWt: 1281.4 Num_heavy_atoms: 89
TPSA: 473.51 NumAromaticRings: 0

Unique Aglycone
AD62089
Formula: C30H46O3

Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2C(C(=O)O)C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 7.01 Num_rotatable_bonds: 1
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD10649

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