Glycoside
...
GD150698

Name:
5-{[5-(1,2-dihydroxyethyl)-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[5-({3-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-14b-hydroxy-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:
C70H114O36

Smiles:
CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C5(C)CCC5(C(=O)OC6OC(CO)C(OC7OC(C(O)CO)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC(C)(C)CC45O)C3(C)C)C(O)C2O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1

Sugarmoiety:
CC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O.OCC(O)C1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 12
HBD: 21 FractionCSP3: 0.96
AlogP: -7.14 Num_rotatable_bonds: 19
MolWt: 1531.65 Num_heavy_atoms: 106
TPSA: 571.12 NumAromaticRings: 0

Unique Aglycone
AD60169
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.35 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD09824

CC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O.OCC(O)C1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O