Glycoside
...
GD140735

Name:
4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-{[4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(3-phenylpropanoyl)oxy]-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:
C61H90O24

Smiles:
CC1(C)CC(OC(=O)CCc2ccccc2)C2(CO)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(OC(=O)CCc2ccccc2)C2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 12 FractionCSP3: 0.82
AlogP: 0.14 Num_rotatable_bonds: 16
MolWt: 1207.37 Num_heavy_atoms: 85
TPSA: 377.04 NumAromaticRings: 1

Unique Aglycone
AD56740
Formula: C39H56O5

Smiles:
CC1(C)CC(OC(=O)CCc2ccccc2)C2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.74
AlogP: 7.47 Num_rotatable_bonds: 6
MolWt: 604.87 Num_heavy_atoms: 44
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD00052

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O