Glycoside
...
GD148191

Name:
1-(2,3-dihydroxy-6-methylhept-5-en-2-yl)-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-7-{[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-10-one

Formula:
C36H58O11

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

Aglycone:
CC(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: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.86
AlogP: 1.37 Num_rotatable_bonds: 7
MolWt: 666.85 Num_heavy_atoms: 47
TPSA: 197.37 NumAromaticRings: 0

Unique Aglycone
AD59311
Formula: C30H48O6

Smiles:
CC(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: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.83
AlogP: 3.54 Num_rotatable_bonds: 4
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00003

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