Glycoside
...
GD147140

Name:
6-{[1-(5-ethyl-4-hydroxy-6-methylheptan-2-yl)-3,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy}-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C47H80O19

Smiles:
CCC(C(C)C)C(O)CC(C)C1C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C2C3CCC4CC(O)CCC4(C)C3CCC21C

Aglycone:
CCC(C(C)C)C(O)CC(C)C1C(O)C(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.98
AlogP: -0.39 Num_rotatable_bonds: 14
MolWt: 949.14 Num_heavy_atoms: 66
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD47791
Formula: C29H52O4

Smiles:
CCC(C(C)C)C(O)CC(C)C1C(O)C(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: 5.02 Num_rotatable_bonds: 6
MolWt: 464.73 Num_heavy_atoms: 33
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01992

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