Glycoside
...
GD143750

Name:
2-{[2-hydroxy-2-(1-hydroxy-7-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C53H90O22

Smiles:
CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(O)(CO)C1(O)CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -1.42 Num_rotatable_bonds: 15
MolWt: 1079.28 Num_heavy_atoms: 75
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD57795
Formula: C30H52O4

Smiles:
CC(C)=CCCC(O)(CO)C1(O)CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.62 Num_rotatable_bonds: 5
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00489

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O