Glycoside
...
GD125212

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

Formula:
C47H76O18

Smiles:
COC1CC(C)(OC2CCC3(C)C(=CCC4(O)C3CC(OC(C)=O)C3(C)C(O)(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

Sugarmoiety:
COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.91
AlogP: 2.73 Num_rotatable_bonds: 12
MolWt: 929.11 Num_heavy_atoms: 65
TPSA: 236.82 NumAromaticRings: 0

Unique Aglycone
AD47146
Formula: C25H38O8

Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(C)=O)C12C
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.84
AlogP: 1.76 Num_rotatable_bonds: 3
MolWt: 466.57 Num_heavy_atoms: 33
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD06443

COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1