Glycoside
...
GD157420

Name:
10-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-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-icosahydropicen-4a-yl 3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate

Formula:
C52H82O21

Smiles:
C=C1CCC2(OC(=O)C3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

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

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.9
AlogP: -1.04 Num_rotatable_bonds: 10
MolWt: 1043.21 Num_heavy_atoms: 73
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD45886
Formula: C29H44O3

Smiles:
C=C1CCC2(OC=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.83
AlogP: 6.6 Num_rotatable_bonds: 2
MolWt: 440.67 Num_heavy_atoms: 32
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD01699

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O