Glycoside
...
GD124308

Name:
1-acetyl-3a,3b-dihydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-2,6-dimethyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl 2-methylbut-2-enoate

Formula:
C54H86O22

Smiles:
CC=C(C)C(=O)OC1CC2(C)C(C(C)=O)CCC2(O)C2(O)CC=C3CC(OC4(C)CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7(O)OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC3(C)C12

Aglycone:
CC=C(C)C(=O)OC1CC2(C)C(C(C)=O)CCC2(O)C2(O)CC=C3CC(O)CCC3(C)C12

Sugarmoiety:
COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3(O)OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 8 FractionCSP3: 0.89
AlogP: 1.34 Num_rotatable_bonds: 15
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 306.74 NumAromaticRings: 0

Unique Aglycone
AD50211
Formula: C26H38O6

Smiles:
CC=C(C)C(=O)OC1CC2(C)C(C(C)=O)CCC2(O)C2(O)CC=C3CC(O)CCC3(C)C12
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.77
AlogP: 3.23 Num_rotatable_bonds: 3
MolWt: 446.58 Num_heavy_atoms: 32
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD06291

COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3(O)OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1