Glycoside
...
GD150221

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

Formula:
C51H82O23

Smiles:
C=C(CCC(CO)C1CC(=O)C2C3CC=C4C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12C)C(C)C

Aglycone:
C=C(CCC(CO)C1CC(=O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.9
AlogP: -3.39 Num_rotatable_bonds: 17
MolWt: 1063.19 Num_heavy_atoms: 74
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD46127
Formula: C28H44O4

Smiles:
C=C(CCC(CO)C1CC(=O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C)C(C)C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.82
AlogP: 4.68 Num_rotatable_bonds: 6
MolWt: 444.66 Num_heavy_atoms: 32
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01280

OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O