Glycoside
...
GD117710

Name:
3,4-dihydroxy-6-{[9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-10-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C53H82O21

Smiles:
CC(=O)OC1C(C)OC(OC2C(O)C3(C)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)CO)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O.O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 8 FractionCSP3: 0.89
AlogP: 2.03 Num_rotatable_bonds: 11
MolWt: 1055.22 Num_heavy_atoms: 74
TPSA: 313.19 NumAromaticRings: 0

Unique Aglycone
AD46971
Formula: C30H50O4

Smiles:
CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1O
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 1
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD05110

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O.O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O