Glycoside
...
GD122353

Name:
1-acetyl-10-(acetyloxy)-3a,3b-dihydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 2-methylbut-2-enoate

Formula:
C55H86O23

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 7 FractionCSP3: 0.87
AlogP: 1.17 Num_rotatable_bonds: 16
MolWt: 1115.27 Num_heavy_atoms: 78
TPSA: 312.81 NumAromaticRings: 0

Unique Aglycone
AD49294
Formula: C28H40O8

Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.75
AlogP: 2.77 Num_rotatable_bonds: 4
MolWt: 504.62 Num_heavy_atoms: 36
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1