Glycoside
...
GD145342

Name:
7-{[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-hydroxy-3a,6,6,9b,11a-pentamethyl-1-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

Formula:
C48H80O20

Smiles:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4C(=CCC5C4(C)C(=O)CC4(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC54C)C3(C)C)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 13 FractionCSP3: 0.94
AlogP: -1.73 Num_rotatable_bonds: 13
MolWt: 977.15 Num_heavy_atoms: 68
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD57915
Formula: C30H50O6

Smiles:
CC(C)(O)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.9
AlogP: 3.77 Num_rotatable_bonds: 5
MolWt: 506.72 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00755

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O