Glycoside
...
GD118080

Name:
1-acetyl-1,3a,3b-trihydroxy-7-{[4-hydroxy-5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-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:
C54H80O23

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(=O)c4ccc(O)cc4)C4(C)C(O)(C(C)=O)CCC54O)C3)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)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(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 10 FractionCSP3: 0.81
AlogP: 0.15 Num_rotatable_bonds: 14
MolWt: 1097.21 Num_heavy_atoms: 77
TPSA: 337.97 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
SD04489

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O