Glycoside
...
GD127282

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

Formula:
C49H84O18

Smiles:
CCC(C(C)C)C(O)CC(C)C1C(OC(C)=O)C(OC2OC(C)C(O)C(O)C2O)C2C3CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CCC(C(C)C)C(O)CC(C)C1C(OC(C)=O)C(O)C2C3CCC4CC(O)CCC4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.98
AlogP: 1.12 Num_rotatable_bonds: 14
MolWt: 961.19 Num_heavy_atoms: 67
TPSA: 283.98 NumAromaticRings: 0

Unique Aglycone
AD51540
Formula: C31H54O5

Smiles:
CCC(C(C)C)C(O)CC(C)C1C(OC(C)=O)C(O)C2C3CCC4CC(O)CCC4(C)C3CCC21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.97
AlogP: 5.59 Num_rotatable_bonds: 7
MolWt: 506.77 Num_heavy_atoms: 36
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00414

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