Glycoside
...
GD142097

Name:
1-acetyl-10-(acetyloxy)-3a,3b-dihydroxy-7-[(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}-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 benzoate

Formula:
C64H96O26

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(OC(C)=O)C(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 7 FractionCSP3: 0.83
AlogP: 2.06 Num_rotatable_bonds: 19
MolWt: 1281.45 Num_heavy_atoms: 90
TPSA: 340.5 NumAromaticRings: 1

Unique Aglycone
AD51996
Formula: C30H38O8

Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.63
AlogP: 3.12 Num_rotatable_bonds: 4
MolWt: 526.63 Num_heavy_atoms: 38
TPSA: 130.36 NumAromaticRings: 1

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1