Glycoside
...
GD116556

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

Formula:
C48H80O17

Smiles:
CC(C)=CC(CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C3CCC12C)OC1OC(C)C(O)C(O)C1O

Aglycone:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CC(O)C4(C)C3CCC12C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.92
AlogP: 0.78 Num_rotatable_bonds: 12
MolWt: 929.15 Num_heavy_atoms: 65
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD46305
Formula: C30H50O3

Smiles:
CC(C)=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CC(O)C4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.87
AlogP: 6.28 Num_rotatable_bonds: 4
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00391

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O