Glycoside
...
GD116595

Name:
2-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a,6a,7-trimethyl-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,11H,11aH,11bH,12H-indeno[2,1-a]phenanthrene-10-carboxylic acid

Formula:
C54H82O22

Smiles:
Cc1c(CCC(C)COC2OC(CO)C(O)C(O)C2O)cc(C(=O)O)c2c1C1(C)CCC3C(CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC43C)C1C2

Aglycone:
Cc1c(CCC(C)CO)cc(C(=O)O)c2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.83
AlogP: -1.06 Num_rotatable_bonds: 15
MolWt: 1083.23 Num_heavy_atoms: 76
TPSA: 353.9 NumAromaticRings: 1

Unique Aglycone
AD46333
Formula: C30H42O4

Smiles:
Cc1c(CCC(C)CO)cc(C(=O)O)c2c1C1(C)CCC3C(CC=C4CC(O)CCC43C)C1C2
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.7
AlogP: 5.59 Num_rotatable_bonds: 5
MolWt: 466.66 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00664

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O