Glycoside
...
GD021323

Name:
1-acetyl-1,3a,3b-trihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate

Formula:
C49H72O17

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)c5ccc(O)cc5)C5(C)C(O)(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 4.01 Num_rotatable_bonds: 12
MolWt: 933.1 Num_heavy_atoms: 66
TPSA: 227.59 NumAromaticRings: 1

Unique Aglycone
AD13257
Formula: C28H36O8

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccc(O)cc3)C12C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.64
AlogP: 2.4 Num_rotatable_bonds: 3
MolWt: 500.59 Num_heavy_atoms: 36
TPSA: 144.52 NumAromaticRings: 1

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O