Glycoside
...
GD137637

Name:
1-acetyl-1,3a,3b-trihydroxy-7-[(4-hydroxy-5-{[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)-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 acetate

Formula:
C56H90O25

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(OC(C)=O)C4(C)C(O)(C(C)=O)CCC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 9 FractionCSP3: 0.93
AlogP: -0.32 Num_rotatable_bonds: 16
MolWt: 1163.31 Num_heavy_atoms: 81
TPSA: 345.43 NumAromaticRings: 0

Unique Aglycone
AD08160
Formula: C23H34O7

Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 1.4 Num_rotatable_bonds: 2
MolWt: 422.52 Num_heavy_atoms: 30
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD02698

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1