Glycoside
...
GD022718

Name:
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-({7,8,9-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylbutanoyl)oxy]methyl}-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-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C56H88O23

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(COC(=O)C(C)CC)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](C)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(=O)C(C)CC)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 12 FractionCSP3: 0.88
AlogP: -0.05 Num_rotatable_bonds: 15
MolWt: 1129.3 Num_heavy_atoms: 79
TPSA: 367.81 NumAromaticRings: 0

Unique Aglycone
AD15367
Formula: C39H62O8

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(=O)C(C)CC)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.85
AlogP: 5.75 Num_rotatable_bonds: 6
MolWt: 658.92 Num_heavy_atoms: 47
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00068

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1O