Glycoside
...
GD148941

Name:
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-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-10-one

Formula:
C36H58O12

Smiles:
CC(C)(O)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(C)(O)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: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 0.77 Num_rotatable_bonds: 8
MolWt: 682.85 Num_heavy_atoms: 48
TPSA: 214.44 NumAromaticRings: 0

Unique Aglycone
AD54719
Formula: C30H48O7

Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 2.94 Num_rotatable_bonds: 5
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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