Glycoside
...
GD147195

Name:
1-acetyl-3a,3b-dihydroxy-7-[(4-hydroxy-5-{[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}-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:
C59H94O24

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(OC4CC(O)C(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(C)O6)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)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: 24 RingCount: 9
HBD: 8 FractionCSP3: 0.9
AlogP: 1.51 Num_rotatable_bonds: 17
MolWt: 1187.38 Num_heavy_atoms: 83
TPSA: 325.2 NumAromaticRings: 0

Unique Aglycone
AD46577
Formula: C26H38O6

Smiles:
CC=C(C)C(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.77
AlogP: 3.23 Num_rotatable_bonds: 3
MolWt: 446.58 Num_heavy_atoms: 32
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD02698

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1