Glycoside
...
GD118956

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

Formula:
C62H100O31

Smiles:
CC1OC(OC2C(O)CC3(C)C(C(O)CC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(OC6OCC(OC7OCC(O)C(O)C7O)C(O)C6O)C(OC6OCC(O)(CO)C6O)C5O)CCC34C)C2(C)CO)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(OC3OCC(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 18 FractionCSP3: 0.95
AlogP: -5.89 Num_rotatable_bonds: 15
MolWt: 1341.45 Num_heavy_atoms: 93
TPSA: 491.97 NumAromaticRings: 0

Unique Aglycone
AD09184
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD05342

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(OC3OCC(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C1O