Glycoside
...
GD156740

Name:
4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methyl)-6-{[4-formyl-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C53H84O24

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(CC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(CC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 15 FractionCSP3: 0.92
AlogP: -3.44 Num_rotatable_bonds: 12
MolWt: 1105.23 Num_heavy_atoms: 77
TPSA: 402.2 NumAromaticRings: 0

Unique Aglycone
AD17190
Formula: C30H48O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 3.23 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD10494

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(CC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O