Glycoside
...
GD025873

Name:
6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C48H74O19

Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)CC[C@@]7(C(=O)O)CC[C@@]6(C)[C@@]5(C)CC[C@H]4[C@]3(C)C=O)O[C@@H](C(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: 1.01 Num_rotatable_bonds: 10
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD03275
Formula: C30H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD02675

CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O