Glycoside
...
GD131942

Name:
2-[(5-hydroxy-2-{[8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H78O19

Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(CO)CCC5(CO)C(O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 13 FractionCSP3: 0.92
AlogP: -1.52 Num_rotatable_bonds: 11
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD12353
Formula: C30H48O5

Smiles:
CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 3.98 Num_rotatable_bonds: 3
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00935

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O