Glycoside
...
GD035660

Name:
6-{[9-(acetyloxy)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-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-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C44H64O19

Smiles:
CC(=O)O[C@@H]1C[C@@](C)(C(=O)O)C[C@@H]2C3=CC(=O)[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]6O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]12C

Aglycone:
CC(=O)OC1CC(C)(C(=O)O)CC2C3=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 9 FractionCSP3: 0.84
AlogP: 0.76 Num_rotatable_bonds: 9
MolWt: 896.98 Num_heavy_atoms: 63
TPSA: 313.57 NumAromaticRings: 0

Unique Aglycone
AD22554
Formula: C32H48O7

Smiles:
CC(=O)OC1CC(C)(C(=O)O)CC2C3=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.84
AlogP: 4.93 Num_rotatable_bonds: 3
MolWt: 544.73 Num_heavy_atoms: 39
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00609

O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O