Glycoside
...
GD128415

Name:
1-{7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-3a,3b,11-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:
C48H78O18

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

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 6 FractionCSP3: 0.94
AlogP: 2.17 Num_rotatable_bonds: 12
MolWt: 943.13 Num_heavy_atoms: 66
TPSA: 239.98 NumAromaticRings: 0

Unique Aglycone
AD46807
Formula: C21H32O5

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.86
AlogP: 1.72 Num_rotatable_bonds: 1
MolWt: 364.48 Num_heavy_atoms: 26
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00924

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