Glycoside
...
GD139320

Name:
6-{[8a-carboxy-11-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-2-hydroxy-4,4,6a,6b,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}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C47H74O20

Smiles:
CC1(COC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

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

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.91
AlogP: -0.62 Num_rotatable_bonds: 10
MolWt: 959.09 Num_heavy_atoms: 67
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD49973
Formula: C30H48O5

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)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
SD06912

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O