Glycoside
...
GD121637

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

Formula:
C75H122O39

Smiles:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OC(CO)C4OC4OC(C)C(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(O)OC(CO)C4OC4OC(C)C(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 13
HBD: 22 FractionCSP3: 0.96
AlogP: -7.8 Num_rotatable_bonds: 22
MolWt: 1647.76 Num_heavy_atoms: 114
TPSA: 609.81 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD05848

CC1OC(OC2C(CO)OC(OC3C(C)OC(OC4C(O)OC(CO)C4OC4OC(C)C(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O