Glycoside
...
GD115082

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

Formula:
C66H108O29

Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(OC)C8O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(C)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(OC)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 11 FractionCSP3: 0.92
AlogP: -0.36 Num_rotatable_bonds: 21
MolWt: 1365.56 Num_heavy_atoms: 95
TPSA: 396.51 NumAromaticRings: 0

Unique Aglycone
AD45461
Formula: C26H40O5

Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.81
AlogP: 3.91 Num_rotatable_bonds: 3
MolWt: 432.6 Num_heavy_atoms: 31
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD04537

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(C)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(OC)C3O)C(OC)C2O)C(C)O1