Glycoside
...
GD143929

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

Formula:
C63H100O32

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC(OC4OC(COC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3C(C)=O)C2)OC(C)C1OC1OC(C)C(OC(C)=O)C(OC)C1OC(C)=O

Aglycone:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC(C)=O)C(OC)C1OC(C)=O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 13 FractionCSP3: 0.92
AlogP: -4.03 Num_rotatable_bonds: 21
MolWt: 1369.46 Num_heavy_atoms: 95
TPSA: 461.88 NumAromaticRings: 0

Unique Aglycone
AD50848
Formula: C21H32O3

Smiles:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 332.48 Num_heavy_atoms: 24
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD09024

COC1CC(O)OC(C)C1OC1OC(C)C(OC(C)=O)C(OC)C1OC(C)=O.OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O