Glycoside
...
GD145336

Name:
6-[7-({6-[({5-[(3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-2,3,4,5-tetrol

Formula:
C47H80O18

Smiles:
CC(C(O)C(O)C(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(OC7OCCC(O)C7O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C

Aglycone:
CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C

Sugarmoiety:
CC(C)(O)C(O)C(O)C(O)O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCCC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.96
AlogP: -0.42 Num_rotatable_bonds: 13
MolWt: 933.14 Num_heavy_atoms: 65
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD18108
Formula: C24H40O

Smiles:
CCC1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)CCC12C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.92
AlogP: 6.36 Num_rotatable_bonds: 1
MolWt: 344.58 Num_heavy_atoms: 25
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD09205

CC(C)(O)C(O)C(O)C(O)O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OCCC(O)C1O