Glycoside
...
GD143518

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}-9-{[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-7-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

Formula:
C50H82O18

Smiles:
CC(=O)OC1C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C3(C)C4CCC5(C)C(C(C)CC(C=C(C)C)OC6OC(C)C(O)C(O)C6O)CCC5(C)C4=CCC3C2(C)C)OC(CO)C(O)C1O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.9
AlogP: 1.35 Num_rotatable_bonds: 13
MolWt: 971.19 Num_heavy_atoms: 68
TPSA: 283.98 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
SD08964

CC(=O)OC1C(O)OC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O