Glycoside
...
GD126299

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-hydroxy-3a,6,6,9b,11a-pentamethyl-1-[2-methyl-3-oxo-5-(propan-2-yl)-2,3-dihydrofuran-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,10-dione

Formula:
C42H62O15

Smiles:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C)C4(C)C(=O)CC23C)O1

Aglycone:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.83
AlogP: 0.86 Num_rotatable_bonds: 7
MolWt: 806.94 Num_heavy_atoms: 57
TPSA: 238.97 NumAromaticRings: 0

Unique Aglycone
AD48465
Formula: C30H42O6

Smiles:
CC(C)C1=CC(=O)C(C)(C2C(O)CC3(C)C4C(=O)C=C5C(CCC(O)C5(C)C)C4(C)C(=O)CC23C)O1
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.77
AlogP: 4.18 Num_rotatable_bonds: 2
MolWt: 498.66 Num_heavy_atoms: 36
TPSA: 100.9 NumAromaticRings: 0

Sugarmoiety
SD00163

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O