Glycoside
...
GD141379

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(3,5-dihydroxy-4-{[4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}oxan-2-yl)oxy]-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C53H84O20

Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7C)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)COC(O)C3O)C(C)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 11 FractionCSP3: 0.91
AlogP: 0.44 Num_rotatable_bonds: 10
MolWt: 1041.24 Num_heavy_atoms: 73
TPSA: 313.44 NumAromaticRings: 0

Unique Aglycone
AD05107
Formula: C29H44O3

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 6.76 Num_rotatable_bonds: 1
MolWt: 440.67 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD08704

CC1OC(OC2C(CO)OC(OC3C(O)COC(O)C3O)C(C)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O