Glycoside
...
GD027760

Name:
methyl 10-({3-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C54H88O21

Smiles:
COC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[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]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 11 FractionCSP3: 0.94
AlogP: 0.29 Num_rotatable_bonds: 11
MolWt: 1073.28 Num_heavy_atoms: 75
TPSA: 322.67 NumAromaticRings: 0

Unique Aglycone
AD03137
Formula: C31H50O3

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.9
AlogP: 7.32 Num_rotatable_bonds: 1
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD01332

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O