Glycoside
...
GD121685

Name:
3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 2,3,3',4',5',17',18',19'-octahydroxy-6a,6b,11,12,14b-pentamethyl-8',14'-dioxo-2,3,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-1H-9',13'-dioxaspiro[picene-4,11'-tricyclo[13.4.0.0²,⁷]nonadecane]-1'(15'),2',4',6',16',18'-hexaene-8a-carboxylate

Formula:
C57H68O23

Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(OC(=O)c4cc(O)c(O)c(O)c4)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)C5CCC43C)C2C1C

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)C5CCC43C)C2C1C.O=C(O)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 14 FractionCSP3: 0.58
AlogP: 4.19 Num_rotatable_bonds: 5
MolWt: 1121.15 Num_heavy_atoms: 80
TPSA: 397.65 NumAromaticRings: 3

Unique Aglycone
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1
AD48994
Formula: C44H54O14

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)C5CCC43C)C2C1C
HBA: 14 RingCount: 8
HBD: 9 FractionCSP3: 0.61
AlogP: 5.95 Num_rotatable_bonds: 1
MolWt: 806.9 Num_heavy_atoms: 58
TPSA: 251.74 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O