Glycoside
...
GD134930

Name:
1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-2-{[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-8-yl acetate

Formula:
C38H56O13

Smiles:
CC(=O)OC1CC2C(=CCC3C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)C=CC(C)(C)O)C(OC4OC(CO)C(O)C(O)C4O)CC32C)C(C)(C)C1=O

Aglycone:
CC(=O)OC1CC2C(=CCC3C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)C=CC(C)(C)O)C(O)CC32C)C(C)(C)C1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.79
AlogP: 1.32 Num_rotatable_bonds: 8
MolWt: 720.85 Num_heavy_atoms: 51
TPSA: 217.35 NumAromaticRings: 0

Unique Aglycone
AD54581
Formula: C32H46O8

Smiles:
CC(=O)OC1CC2C(=CCC3C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)C=CC(C)(C)O)C(O)CC32C)C(C)(C)C1=O
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.75
AlogP: 3.5 Num_rotatable_bonds: 5
MolWt: 558.71 Num_heavy_atoms: 40
TPSA: 138.2 NumAromaticRings: 0

Sugarmoiety
SD00003

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