Glycoside
...
GD027375

Name:
1-(2-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-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:
C42H68O14

Smiles:
CC(=CCCC(C)(O)C1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC(=CCCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)CO

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 9 FractionCSP3: 0.88
AlogP: 1.25 Num_rotatable_bonds: 11
MolWt: 796.99 Num_heavy_atoms: 56
TPSA: 236.06 NumAromaticRings: 0

Unique Aglycone
AD17996
Formula: C30H48O4

Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)CO
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.83
AlogP: 5.6 Num_rotatable_bonds: 5
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00019

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