Glycoside
...
GD151237

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

Formula:
C47H76O19

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C(=O)OCC(O)C(O)C(O)CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C=O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC(O)C(O)C(O)COO

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 0.89
AlogP: -1.72 Num_rotatable_bonds: 13
MolWt: 945.11 Num_heavy_atoms: 66
TPSA: 326.21 NumAromaticRings: 0

Unique Aglycone
AD45940
Formula: C30H46O5

Smiles:
CC1(C=O)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 4.18 Num_rotatable_bonds: 3
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09889

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC(O)C(O)C(O)COO