Glycoside
...
GD122594

Name:
2-[(6-{[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)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H80O18

Smiles:
COC1CC(OC(C)C2(O)CCC3C4C=CC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC32C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

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

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 7 FractionCSP3: 0.96
AlogP: 1.68 Num_rotatable_bonds: 13
MolWt: 945.15 Num_heavy_atoms: 66
TPSA: 243.14 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
SD06010

COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1