Glycoside
...
GD114799

Name:
2-[(6-{[9a,11a-dimethyl-1-(1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C46H76O21

Smiles:
COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC43)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -2.71 Num_rotatable_bonds: 13
MolWt: 965.09 Num_heavy_atoms: 67
TPSA: 325.83 NumAromaticRings: 0

Unique Aglycone
AD45290
Formula: C21H34O2

Smiles:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 4.31 Num_rotatable_bonds: 1
MolWt: 318.5 Num_heavy_atoms: 23
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD04462

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O