Glycoside
...
GD035954

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

Formula:
C53H84O23

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

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.89
AlogP: -1.89 Num_rotatable_bonds: 13
MolWt: 1089.23 Num_heavy_atoms: 76
TPSA: 381.97 NumAromaticRings: 0

Unique Aglycone
AD13429
Formula: C35H56O7

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.86
AlogP: 4.54 Num_rotatable_bonds: 4
MolWt: 588.83 Num_heavy_atoms: 42
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00892

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O