Glycoside
...
GD133880

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

Formula:
C58H92O29

Smiles:
COC(=O)C1(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OCC(O)C(O)C3OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)(CO)C5O)C4O)C(O)C3O)C(O)CC21C

Aglycone:
COC(=O)C1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 16 FractionCSP3: 0.93
AlogP: -5.2 Num_rotatable_bonds: 14
MolWt: 1253.35 Num_heavy_atoms: 87
TPSA: 459.35 NumAromaticRings: 0

Unique Aglycone
AD50594
Formula: C31H48O8

Smiles:
COC(=O)C1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 3.3 Num_rotatable_bonds: 3
MolWt: 548.72 Num_heavy_atoms: 39
TPSA: 144.52 NumAromaticRings: 0

Sugarmoiety
SD02095

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.OCC1OC(O)C(O)C(O)C1O