Glycoside
...
GD134824

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

Formula:
C41H68O16

Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(C=CC4C3CCC3(C)C4CCC3(O)C(C)OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C2)C1O

Aglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 0.11 Num_rotatable_bonds: 10
MolWt: 816.98 Num_heavy_atoms: 57
TPSA: 235.68 NumAromaticRings: 0

Unique Aglycone
AD46010
Formula: C21H34O3

Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.28 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07848

COC1C(O)C(C)OC(O)C1O.COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1O