Glycoside
...
GD154488

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

Formula:
C45H68O21

Smiles:
COC1C(O)C(OC2CCC3(C)C(C2)C(OC(C)=O)CC2(O)C3CCC3(C)C(c4ccc(=O)oc4)CCC32O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.87
AlogP: -1.95 Num_rotatable_bonds: 11
MolWt: 945.02 Num_heavy_atoms: 66
TPSA: 323.42 NumAromaticRings: 1

Unique Aglycone
AD45296
Formula: C26H36O7

Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(c4ccc(=O)oc4)CCC32O)C2(C)CCC(O)CC12
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.77
AlogP: 2.9 Num_rotatable_bonds: 2
MolWt: 460.57 Num_heavy_atoms: 33
TPSA: 117.2 NumAromaticRings: 1

Sugarmoiety
SD06362

COC1C(O)C(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O