Glycoside
...
GD138531

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

Formula:
C48H78O19

Smiles:
CC(=O)OC1COC(OC2CC(O)CC3=CCC4C5CC(OC6OC(CO)C(O)C(O)C6O)C(C(C)C(O)CCC(C)C)C5(C)CCC4C32C)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O

Aglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C

Sugarmoiety:
CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 9 FractionCSP3: 0.92
AlogP: 0.58 Num_rotatable_bonds: 14
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 290.05 NumAromaticRings: 0

Unique Aglycone
AD06943
Formula: C27H46O4

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 5
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD07789

CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O