Glycoside
...
GD152484

Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,3b,11-trihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl acetate

Formula:
C33H48O12

Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(C2)C(OC(C)=O)CC2(O)C3CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C1O

Aglycone:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)CC12

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.82
AlogP: 1.38 Num_rotatable_bonds: 5
MolWt: 636.74 Num_heavy_atoms: 45
TPSA: 185.35 NumAromaticRings: 1

Unique Aglycone
AD60177
Formula: C26H36O8

Smiles:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)CC12
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.77
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 476.57 Num_heavy_atoms: 34
TPSA: 137.43 NumAromaticRings: 1

Sugarmoiety
SD00011

COC1C(O)C(C)OC(O)C1O