Glycoside
...
GD119844

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

Formula:
C38H56O12

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)CCC12C

Aglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12C

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.76
AlogP: 2.27 Num_rotatable_bonds: 8
MolWt: 704.85 Num_heavy_atoms: 50
TPSA: 200.28 NumAromaticRings: 0

Unique Aglycone
AD48075
Formula: C32H46O7

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)CCC12C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.72
AlogP: 5.01 Num_rotatable_bonds: 5
MolWt: 542.71 Num_heavy_atoms: 39
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00003

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