Glycoside
GD147620
Name:
sw91Formula:
C35H40O16Smiles:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(OC4CC(C)(O)C(O)C(C)O4)C(C)O2)C(=O)C(C(C)=O)=C(O)C1(O)C3=OAglycone:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(C(C)=O)=C(O)C1(O)C3=OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 716.69 | Num_heavy_atoms: | 51 |
| TPSA: | 252.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD51453
Formula: C28H28O13
Smiles:
COC1=CC(=O)c2c(O)c3c(c(C)c2C1=O)CC1(O)C(OC2CCC(O)C(C)O2)C(=O)C(C(C)=O)=C(O)C1(O)C3=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 214.19 | NumAromaticRings: | 1 |
