Glycoside
...
GD142967

Name:
6-[(2-{[5,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Formula:
C48H82O20

Smiles:
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(O)(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 14 FractionCSP3: 0.96
AlogP: -1.74 Num_rotatable_bonds: 13
MolWt: 979.16 Num_heavy_atoms: 68
TPSA: 338.6 NumAromaticRings: 0

Unique Aglycone
AD00144
Formula: C30H52O4

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD08906

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)(CO)C(O)C(O)C2O)C(O)C1O