Glycoside
...
GD156999

Name:
7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C44H64O20

Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(OC5OC(C)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1

Aglycone:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.82
AlogP: -1.8 Num_rotatable_bonds: 10
MolWt: 912.98 Num_heavy_atoms: 64
TPSA: 314.19 NumAromaticRings: 1

Unique Aglycone
AD60010
Formula: C26H34O6

Smiles:
CC(=O)OC1CC2(O)C3CCC4=CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.69
AlogP: 3.7 Num_rotatable_bonds: 2
MolWt: 442.55 Num_heavy_atoms: 32
TPSA: 96.97 NumAromaticRings: 1

Sugarmoiety
SD04917

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O