Glycoside
...
GD127587

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}-3a-hydroxy-5a,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C52H78O16

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)c5ccccc5)C5(C)C(C(C)OC(C)=O)CCC5(O)C4C=CC3(C)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC(C)C1CCC2(O)C3C=CC4(C)CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 3 FractionCSP3: 0.81
AlogP: 5.65 Num_rotatable_bonds: 13
MolWt: 959.18 Num_heavy_atoms: 68
TPSA: 196.36 NumAromaticRings: 1

Unique Aglycone
AD51670
Formula: C31H42O6

Smiles:
CC(=O)OC(C)C1CCC2(O)C3C=CC4(C)CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.68
AlogP: 5.07 Num_rotatable_bonds: 4
MolWt: 510.67 Num_heavy_atoms: 37
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD01107

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