Glycoside
...
GD149456

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,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 2-methylbut-2-enoate

Formula:
C49H78O18

Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(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)C3(O)CC=C4CC(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: 18 RingCount: 7
HBD: 5 FractionCSP3: 0.88
AlogP: 3.29 Num_rotatable_bonds: 13
MolWt: 955.15 Num_heavy_atoms: 67
TPSA: 236.82 NumAromaticRings: 0

Unique Aglycone
AD57572
Formula: C28H42O8

Smiles:
CC=C(C)C(=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: 0.79
AlogP: 2.71 Num_rotatable_bonds: 4
MolWt: 506.64 Num_heavy_atoms: 36
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD01107

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