Glycoside
...
GD154623

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-6-methyloxan-2-yl]oxy}-1,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-methylbut-2-enoate

Formula:
C49H80O17

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 4 FractionCSP3: 0.92
AlogP: 4.25 Num_rotatable_bonds: 13
MolWt: 941.16 Num_heavy_atoms: 66
TPSA: 216.59 NumAromaticRings: 0

Unique Aglycone
AD53729
Formula: C28H44O7

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 3.68 Num_rotatable_bonds: 4
MolWt: 492.65 Num_heavy_atoms: 35
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD01107

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