Glycoside
...
GD136517

Name:
2-{[3-hydroxy-6-({11-hydroxy-1-[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H82O19

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C6(C)CC(O)C(C(C)(C)O)O6)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 1.0
AlogP: -0.82 Num_rotatable_bonds: 10
MolWt: 963.17 Num_heavy_atoms: 67
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD48650
Formula: C30H52O5

Smiles:
CC(C)(O)C1OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4CCC23C)CC1O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00124

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O