Glycoside
...
GD118949

Name:
6-(3-{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]-5-hydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carbonyloxy}-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C61H98O31

Smiles:
CC1(C(=O)OCC(O)COC2OC(C(=O)O)C(O)C(O)C2O)CCC2(CO)C(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(=O)OCC(O)CO)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.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: 31 RingCount: 10
HBD: 18 FractionCSP3: 0.93
AlogP: -5.52 Num_rotatable_bonds: 18
MolWt: 1327.42 Num_heavy_atoms: 92
TPSA: 499.81 NumAromaticRings: 0

Unique Aglycone
AD47603
Formula: C33H54O7

Smiles:
CC1(C(=O)OCC(O)CO)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.91
AlogP: 3.99 Num_rotatable_bonds: 5
MolWt: 562.79 Num_heavy_atoms: 40
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD05340

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O