Glycoside
...
GD155047

Name:
7-{[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}-3a-hydroxy-1-(1-hydroxyethyl)-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:
C49H74O15

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 4 FractionCSP3: 0.82
AlogP: 4.83 Num_rotatable_bonds: 12
MolWt: 903.12 Num_heavy_atoms: 64
TPSA: 190.29 NumAromaticRings: 1

Unique Aglycone
AD61535
Formula: C28H38O5

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.26 Num_rotatable_bonds: 3
MolWt: 454.61 Num_heavy_atoms: 33
TPSA: 86.99 NumAromaticRings: 1

Sugarmoiety
SD01107

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