Glycoside
...
GD122853

Name:
2-[(6-{[3a-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-6-({[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

Formula:
C40H66O19

Smiles:
COC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 12 FractionCSP3: 0.95
AlogP: -2.78 Num_rotatable_bonds: 10
MolWt: 850.95 Num_heavy_atoms: 59
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD46291
Formula: C21H34O3

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.42 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD06050

COC1C(O)C(O)OC(C)C1OC1(O)OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O