Glycoside
...
GD130165

Name:
2-[(2-{[5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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,13,14b-icosahydropicen-4a-yl](hydroperoxy)methyl}-4,5-dihydroxyoxan-3-yl)oxy]-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl acetate

Formula:
C54H88O25

Smiles:
CC(=O)OC1C(O)C(OC2C(O)C(O)COC2C(OO)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(CO)(CO)C5CCC4(C)C2(C)CC3O)OC(C)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(COO)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(O)C(OC2C(O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 15 FractionCSP3: 0.94
AlogP: -2.91 Num_rotatable_bonds: 13
MolWt: 1137.27 Num_heavy_atoms: 79
TPSA: 403.59 NumAromaticRings: 0

Unique Aglycone
AD52742
Formula: C30H50O7

Smiles:
CC1(C)CCC2(COO)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.93
AlogP: 3.53 Num_rotatable_bonds: 4
MolWt: 522.72 Num_heavy_atoms: 37
TPSA: 130.61 NumAromaticRings: 0

Sugarmoiety
SD07195

CC(=O)OC1C(O)C(OC2C(O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O