Glycoside
...
GD147874

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

Formula:
C53H88O23

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(=O)C4C(C(O)(CC=CC(C)(C)O)COC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C=CCC(O)(CO)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.94
AlogP: -2.38 Num_rotatable_bonds: 15
MolWt: 1093.26 Num_heavy_atoms: 76
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD59199
Formula: C30H50O5

Smiles:
CC(C)(O)C=CCC(O)(CO)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD01699

CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O