Glycoside
...
GD157512

Name:
1-[1-(acetyloxy)ethyl]-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,5a-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-phenylprop-2-enoate

Formula:
C53H78O19

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)OC(C)=O)CCC5(O)C4(O)C=CC3(O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 6 FractionCSP3: 0.77
AlogP: 3.0 Num_rotatable_bonds: 14
MolWt: 1019.19 Num_heavy_atoms: 72
TPSA: 257.05 NumAromaticRings: 1

Unique Aglycone
AD62263
Formula: C32H42O9

Smiles:
CC(=O)OC(C)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.62
AlogP: 2.43 Num_rotatable_bonds: 5
MolWt: 570.68 Num_heavy_atoms: 41
TPSA: 153.75 NumAromaticRings: 1

Sugarmoiety
SD01107

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