Glycoside
...
GD136402

Name:
10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-4a-(hydroxymethyl)-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-icosahydropicen-5-yl hydrogen carbonate

Formula:
C53H86O24

Smiles:
CC1(C)CC(O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 14 FractionCSP3: 0.94
AlogP: -1.64 Num_rotatable_bonds: 12
MolWt: 1107.25 Num_heavy_atoms: 77
TPSA: 383.36 NumAromaticRings: 0

Unique Aglycone
AD55137
Formula: C31H50O6

Smiles:
CC1(C)CC(O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.79 Num_rotatable_bonds: 2
MolWt: 518.74 Num_heavy_atoms: 37
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00290

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O