Glycoside
...
GD135245

Name:
6-[(6-{[6-({1-acetyl-3a,3b,10,11-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-4-methoxy-2,6-dimethyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-5-(acetyloxy)-4-methoxy-2-methyloxan-3-yl acetate

Formula:
C47H74O18

Smiles:
COC1CC(C)(OC2CCC3(C)C(=CCC4(O)C3C(O)C(O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 4 FractionCSP3: 0.89
AlogP: 2.79 Num_rotatable_bonds: 12
MolWt: 927.09 Num_heavy_atoms: 65
TPSA: 233.66 NumAromaticRings: 0

Unique Aglycone
AD45851
Formula: C21H32O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.86
AlogP: 0.69 Num_rotatable_bonds: 1
MolWt: 380.48 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD06990

COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1