Glycoside
...
GD129867

Name:
2-({6-[(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}-4-methoxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-(hydroxymethyl)-4-methoxyoxan-3-ol

Formula:
C48H80O17

Smiles:
COC1CC(OC2C(CO)OC(OC3C(O)CC(OC4C(C)OC(OC5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)O)CCC76O)C5)CC4OC)OC3C)C(O)C2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(CO)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)C(O)C2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 6 FractionCSP3: 0.96
AlogP: 2.85 Num_rotatable_bonds: 13
MolWt: 929.15 Num_heavy_atoms: 65
TPSA: 222.91 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
SD07146

COC1CC(OC2C(CO)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)C(O)C2OC)OC(C)C1O