Glycoside
...
GD134403

Name:
1-acetyl-10-(acetyloxy)-3a-hydroxy-7-{[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}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate

Formula:
C55H88O22

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(OC(C)=O)C(OC(=O)CC(C)C)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)C

Sugarmoiety:
COC1CC(O)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: 22 RingCount: 8
HBD: 6 FractionCSP3: 0.91
AlogP: 2.14 Num_rotatable_bonds: 17
MolWt: 1101.29 Num_heavy_atoms: 77
TPSA: 292.58 NumAromaticRings: 0

Unique Aglycone
AD10330
Formula: C28H42O7

Smiles:
CC(=O)OC1C2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)CC(C)C
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.82
AlogP: 3.74 Num_rotatable_bonds: 5
MolWt: 490.64 Num_heavy_atoms: 35
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD02085

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