Glycoside
...
GD116106

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

Formula:
C38H60O13

Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.87
AlogP: 1.34 Num_rotatable_bonds: 9
MolWt: 724.89 Num_heavy_atoms: 51
TPSA: 220.51 NumAromaticRings: 0

Unique Aglycone
AD46054
Formula: C32H50O8

Smiles:
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.84
AlogP: 3.52 Num_rotatable_bonds: 6
MolWt: 562.74 Num_heavy_atoms: 40
TPSA: 141.36 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O